 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer01_STD_wB97XD_augccpVDZ.in
 Output=22_phenylethanamine_conformer01_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-6896.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      6901.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer01_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer01_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.111307000000     -1.069417000000     -0.102024000000
  C                                                 0.734884000000     -1.260349000000     -0.166437000000
  C                                                -0.144890000000     -0.185381000000     -0.068831000000
  C                                                 0.388544000000      1.093690000000      0.095425000000
  C                                                 1.760545000000      1.291465000000      0.161002000000
  C                                                 2.628739000000      0.208429000000      0.062356000000
  C                                                -1.647711000000     -0.410794000000     -0.128779000000
  N                                                -2.350691000000      0.384938000000     -1.140870000000
  C                                                -2.300778000000     -0.170753000000      1.231094000000
  H                                                -1.882449000000      0.311028000000     -2.037050000000
  H                                                -1.804291000000     -1.459889000000     -0.395933000000
  H                                                -1.843351000000     -0.797458000000      1.996908000000
  H                                                -3.367500000000     -0.390246000000      1.178808000000
  H                                                -2.178114000000      0.871199000000      1.538101000000
  H                                                -0.274240000000      1.947756000000      0.170051000000
  H                                                 2.155180000000      2.291537000000      0.289393000000
  H                                                 3.698964000000      0.362116000000      0.110832000000
  H                                                 2.777726000000     -1.918812000000     -0.183587000000
  H                                                 0.336513000000     -2.260101000000     -0.296821000000
  H                                                -2.347436000000      1.366960000000     -0.887454000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391095   0.000000
     3  C    2.423437   1.392510   0.000000
     4  C    2.772351   2.393747   1.395548   0.000000
     5  C    2.401246   2.769648   2.421689   1.387733   0.000000
     6  C    1.388397   2.407559   2.804517   2.408994   1.391567
     7  C    3.816375   2.529806   1.520814   2.541668   3.820716
     8  N    4.806639   3.630050   2.517953   3.087744   4.406691
     9  C    4.695881   3.515047   2.517513   3.181354   4.447193
    10  H    4.647584   3.580342   2.671969   3.212074   4.366245
    11  H    3.945980   2.557322   2.117777   3.401577   4.537420
    12  H    4.485398   3.397297   2.743481   3.489045   4.552166
    13  H    5.667374   4.404125   3.461761   4.181346   5.491896
    14  H    4.985492   3.991805   2.798677   2.952719   4.193574
    15  H    3.855929   3.379866   2.150365   1.083642   2.138025
    16  H    3.383954   3.852391   3.399084   2.143237   1.082758
    17  H    2.148313   3.390434   3.886804   3.390327   2.150273
    18  H    1.082700   2.146409   3.399947   3.855024   3.385155
    19  H    2.146059   1.084068   2.142006   3.377052   3.853711
    20  H    5.141325   4.113796   2.816224   2.919985   4.240338
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.325274   0.000000
     8  N    5.125781   1.466867   0.000000
     9  C    5.080341   1.527537   2.436698   0.000000
    10  H    4.976831   2.053686   1.013830   3.329846   0.000000
    11  H    4.758684   1.093841   2.063219   2.134382   2.415682
    12  H    4.975328   2.169408   3.391328   1.090170   4.183669
    13  H    6.128602   2.160528   2.648720   1.090324   3.610942
    14  H    5.071777   2.168714   2.728208   1.093144   3.630828
    15  H    3.385874   2.745629   2.910767   3.117812   3.183789
    16  H    2.148288   4.683956   5.097416   5.177377   5.063319
    17  H    1.082290   5.407563   6.177832   6.126650   5.980650
    18  H    2.146588   4.675641   5.703009   5.554119   5.488601
    19  H    3.387765   2.717594   3.863899   3.695295   3.816136
    20  H    5.196792   2.055629   1.014198   2.618202   1.628735
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483149   0.000000
    13  H    2.463243   1.777115   0.000000
    14  H    3.051918   1.762665   1.770586   0.000000
    15  H    3.778020   3.651810   4.006507   2.579781   0.000000
    16  H    5.497297   5.333456   6.203468   4.728009   2.456524
    17  H    5.819135   5.968178   7.186204   6.069292   4.278330
    18  H    4.609835   5.231285   6.477379   5.942114   4.938614
    19  H    2.287620   3.486018   4.403811   4.415351   4.277505
    20  H    2.920218   3.641202   2.897886   2.481485   2.398704
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477462   0.000000
    18  H    4.282326   2.477498   0.000000
    19  H    4.936457   4.283489   2.467554   0.000000
    20  H    4.744825   6.210092   6.128541   4.550604   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4368554           1.0875586           0.9903475
 Leave Link  202 at Thu Aug 12 22:10:08 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.1332285289 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0116223812 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.1216061477 Hartrees.
 Leave Link  301 at Thu Aug 12 22:10:10 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.77D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer01_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:10:12 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.145351583716    
 DIIS: error= 2.24D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.145351583716     IErMin= 1 ErrMin= 2.24D-03
 ErrMax= 2.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-03 BMatP= 4.60D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.24D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 GapD=    0.368 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.21D-02 MaxDP=2.93D+00              OVMax= 1.42D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.31D-02    CP:  1.57D+00
 E= -366.149225228234     Delta-E=       -0.003873644519 Rises=F Damp=F
 DIIS: error= 2.16D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.149225228234     IErMin= 2 ErrMin= 2.16D-04
 ErrMax= 2.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-05 BMatP= 4.60D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.16D-03
 Coeff-Com: -0.646D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.645D-01 0.106D+01
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=8.69D-03 MaxDP=4.93D-01 DE=-3.87D-03 OVMax= 4.98D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.51D-03    CP:  1.67D+00  1.16D+00
 E= -366.149352453955     Delta-E=       -0.000127225720 Rises=F Damp=F
 DIIS: error= 1.06D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.149352453955     IErMin= 3 ErrMin= 1.06D-04
 ErrMax= 1.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.16D-06 BMatP= 5.63D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.06D-03
 Coeff-Com: -0.180D-01 0.167D+00 0.851D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.180D-01 0.167D+00 0.851D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=6.16D-04 MaxDP=3.41D-02 DE=-1.27D-04 OVMax= 1.30D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.31D-04    CP:  1.68D+00  1.17D+00  1.11D+00
 E= -366.149361988551     Delta-E=       -0.000009534597 Rises=F Damp=F
 DIIS: error= 5.04D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.149361988551     IErMin= 4 ErrMin= 5.04D-05
 ErrMax= 5.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-06 BMatP= 6.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-02-0.867D-01 0.272D+00 0.812D+00
 Coeff:      0.272D-02-0.867D-01 0.272D+00 0.812D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.71D-04 MaxDP=1.00D-02 DE=-9.53D-06 OVMax= 7.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.98D-05    CP:  1.68D+00  1.17D+00  1.17D+00  1.30D+00
 E= -366.149364431141     Delta-E=       -0.000002442589 Rises=F Damp=F
 DIIS: error= 1.32D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.149364431141     IErMin= 5 ErrMin= 1.32D-05
 ErrMax= 1.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-07 BMatP= 1.58D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.221D-02-0.398D-01 0.147D-01 0.267D+00 0.756D+00
 Coeff:      0.221D-02-0.398D-01 0.147D-01 0.267D+00 0.756D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.74D-05 MaxDP=2.00D-03 DE=-2.44D-06 OVMax= 2.60D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.37D-05    CP:  1.68D+00  1.17D+00  1.17D+00  1.42D+00  1.17D+00
 E= -366.149364668430     Delta-E=       -0.000000237289 Rises=F Damp=F
 DIIS: error= 4.76D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.149364668430     IErMin= 6 ErrMin= 4.76D-06
 ErrMax= 4.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-08 BMatP= 1.48D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.504D-03-0.386D-02-0.278D-01-0.778D-03 0.284D+00 0.748D+00
 Coeff:      0.504D-03-0.386D-02-0.278D-01-0.778D-03 0.284D+00 0.748D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=1.11D-03 DE=-2.37D-07 OVMax= 9.99D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.30D-06    CP:  1.68D+00  1.17D+00  1.17D+00  1.45D+00  1.24D+00
                    CP:  1.17D+00
 E= -366.149364707028     Delta-E=       -0.000000038599 Rises=F Damp=F
 DIIS: error= 1.56D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.149364707028     IErMin= 7 ErrMin= 1.56D-06
 ErrMax= 1.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-09 BMatP= 2.37D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.185D-03 0.467D-02-0.958D-02-0.414D-01-0.393D-01 0.194D+00
 Coeff-Com:  0.892D+00
 Coeff:     -0.185D-03 0.467D-02-0.958D-02-0.414D-01-0.393D-01 0.194D+00
 Coeff:      0.892D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=8.65D-06 MaxDP=4.49D-04 DE=-3.86D-08 OVMax= 4.36D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.07D-06    CP:  1.68D+00  1.17D+00  1.17D+00  1.46D+00  1.27D+00
                    CP:  1.31D+00  1.15D+00
 E= -366.149364711440     Delta-E=       -0.000000004411 Rises=F Damp=F
 DIIS: error= 4.77D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.149364711440     IErMin= 8 ErrMin= 4.77D-07
 ErrMax= 4.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-10 BMatP= 2.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.906D-04 0.187D-02-0.200D-02-0.154D-01-0.312D-01 0.327D-01
 Coeff-Com:  0.358D+00 0.656D+00
 Coeff:     -0.906D-04 0.187D-02-0.200D-02-0.154D-01-0.312D-01 0.327D-01
 Coeff:      0.358D+00 0.656D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=5.33D-07 MaxDP=2.98D-05 DE=-4.41D-09 OVMax= 8.51D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.57D-07    CP:  1.68D+00  1.17D+00  1.17D+00  1.45D+00  1.28D+00
                    CP:  1.32D+00  1.18D+00  1.05D+00
 E= -366.149364711876     Delta-E=       -0.000000000436 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.149364711876     IErMin= 9 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-11 BMatP= 2.80D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.857D-05-0.374D-03 0.145D-02 0.420D-02-0.172D-02-0.317D-01
 Coeff-Com: -0.857D-01 0.141D+00 0.973D+00
 Coeff:      0.857D-05-0.374D-03 0.145D-02 0.420D-02-0.172D-02-0.317D-01
 Coeff:     -0.857D-01 0.141D+00 0.973D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.13D-07 MaxDP=4.26D-05 DE=-4.36D-10 OVMax= 5.64D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.81D-07    CP:  1.68D+00  1.17D+00  1.17D+00  1.45D+00  1.27D+00
                    CP:  1.32D+00  1.19D+00  1.09D+00  1.34D+00
 E= -366.149364711899     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 3.97D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.149364711899     IErMin=10 ErrMin= 3.97D-08
 ErrMax= 3.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-12 BMatP= 2.53D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.991D-05-0.253D-03 0.556D-03 0.240D-02 0.186D-02-0.103D-01
 Coeff-Com: -0.505D-01-0.131D-01 0.271D+00 0.798D+00
 Coeff:      0.991D-05-0.253D-03 0.556D-03 0.240D-02 0.186D-02-0.103D-01
 Coeff:     -0.505D-01-0.131D-01 0.271D+00 0.798D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.49D-07 MaxDP=8.74D-06 DE=-2.31D-11 OVMax= 1.16D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.16D-08    CP:  1.68D+00  1.17D+00  1.17D+00  1.45D+00  1.27D+00
                    CP:  1.32D+00  1.19D+00  1.09D+00  1.37D+00  1.10D+00
 E= -366.149364711935     Delta-E=       -0.000000000036 Rises=F Damp=F
 DIIS: error= 1.63D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.149364711935     IErMin=11 ErrMin= 1.63D-08
 ErrMax= 1.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-13 BMatP= 2.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.159D-05-0.237D-04-0.261D-04 0.139D-03 0.636D-03 0.132D-02
 Coeff-Com: -0.357D-02-0.230D-01-0.388D-01 0.205D+00 0.858D+00
 Coeff:      0.159D-05-0.237D-04-0.261D-04 0.139D-03 0.636D-03 0.132D-02
 Coeff:     -0.357D-02-0.230D-01-0.388D-01 0.205D+00 0.858D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=3.75D-08 MaxDP=2.17D-06 DE=-3.62D-11 OVMax= 4.97D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.37D-08    CP:  1.68D+00  1.17D+00  1.17D+00  1.45D+00  1.27D+00
                    CP:  1.32D+00  1.18D+00  1.09D+00  1.38D+00  1.15D+00
                    CP:  1.13D+00
 E= -366.149364711903     Delta-E=        0.000000000033 Rises=F Damp=F
 DIIS: error= 1.10D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -366.149364711935     IErMin=12 ErrMin= 1.10D-08
 ErrMax= 1.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-14 BMatP= 2.64D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.783D-06 0.259D-04-0.829D-04-0.275D-03-0.551D-04 0.190D-02
 Coeff-Com:  0.548D-02-0.728D-02-0.482D-01-0.416D-01 0.310D+00 0.780D+00
 Coeff:     -0.783D-06 0.259D-04-0.829D-04-0.275D-03-0.551D-04 0.190D-02
 Coeff:      0.548D-02-0.728D-02-0.482D-01-0.416D-01 0.310D+00 0.780D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.02D-08 MaxDP=1.15D-06 DE= 3.25D-11 OVMax= 1.51D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.34D-09    CP:  1.68D+00  1.17D+00  1.17D+00  1.45D+00  1.27D+00
                    CP:  1.32D+00  1.18D+00  1.08D+00  1.38D+00  1.15D+00
                    CP:  1.21D+00  1.03D+00
 E= -366.149364711952     Delta-E=       -0.000000000049 Rises=F Damp=F
 DIIS: error= 2.34D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -366.149364711952     IErMin=13 ErrMin= 2.34D-09
 ErrMax= 2.34D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.64D-15 BMatP= 4.49D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.353D-06 0.960D-05-0.232D-04-0.934D-04-0.682D-04 0.488D-03
 Coeff-Com:  0.196D-02-0.539D-03-0.110D-01-0.309D-01 0.272D-01 0.246D+00
 Coeff-Com:  0.767D+00
 Coeff:     -0.353D-06 0.960D-05-0.232D-04-0.934D-04-0.682D-04 0.488D-03
 Coeff:      0.196D-02-0.539D-03-0.110D-01-0.309D-01 0.272D-01 0.246D+00
 Coeff:      0.767D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=5.22D-09 MaxDP=2.73D-07 DE=-4.90D-11 OVMax= 4.69D-08

 SCF Done:  E(RwB97XD) =  -366.149364712     A.U. after   13 cycles
            NFock= 13  Conv=0.52D-08     -V/T= 2.0062
 KE= 3.638972946607D+02 PE=-1.699284959393D+03 EE= 5.441166938725D+02
 Leave Link  502 at Thu Aug 12 22:14:52 2021, MaxMem=  5368709120 cpu:            2234.7 elap:             279.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.11500782D+03

 Leave Link  801 at Thu Aug 12 22:14:53 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 4.11D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 2.02D-01 7.69D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 3.69D-02 5.76D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.39D-03 1.36D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 5.49D-04 5.24D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 2.87D-05 5.95D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 1.02D-06 1.48D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 2.55D-08 3.11D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 5.47D-10 5.25D-06.
      9 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 1.44D-11 6.45D-07.
      5 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 2.63D-13 7.30D-08.
      1 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 6.73D-15 1.26D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.136758D+03
      2 -0.285205D+00  0.108796D+03
      3  0.947457D+00  0.254840D+01  0.790246D+02
 Isotropic polarizability for W=    0.085645      108.19 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.674510D+02  0.556027D+00 -0.530219D+00
      2  -0.128293D+02  0.301521D+00 -0.530709D+01
      3  -0.546217D+02 -0.857548D+00  0.583730D+01
      4   0.269520D+01  0.760033D+02  0.178456D+02
      5   0.105977D+02  0.178366D+02 -0.423676D+02
      6   0.688324D+01  0.724649D+01 -0.293481D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.698592D+00  0.286194D+01  0.177439D+01
      2   0.493339D+00  0.801610D+01 -0.163923D+02
      3  -0.516309D+01 -0.365143D+02 -0.794424D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.896670D-02  0.125536D+02 -0.828200D+00
      2  -0.111279D+02  0.109623D+02  0.122540D+02
      3   0.213917D+01 -0.888326D+02 -0.109534D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.336865D-01 -0.660609D+00  0.101105D+01
      2  -0.660609D+00 -0.158083D+01  0.365431D+01
      3   0.101105D+01  0.365431D+01  0.920410D+00
 OR G Eigenvalues:    -4.4750     0.2594     3.5888  Iso=     0.2089
 Eigenvectors:
   (1)   0.243364   0.781288  -0.574772
   (2)   0.961432  -0.272608   0.036523
   (3)   0.128152   0.561493   0.817498
 w=    0.085645 a.u., Optical Rotation Beta=      0.2089 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       81.76 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 1.92D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.72D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 5.17D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 3.94D-02 3.41D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 1.22D-03 7.04D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 2.14D-05 8.89D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 3.13D-07 1.20D-04.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 4.00D-09 1.01D-05.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 3.61D-11 8.20D-07.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 2.63D-13 7.56D-08.
      8 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 4.24D-15 9.26D-09.
      3 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 7.99D-16 3.40D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   251 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 6.83D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 6.83D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.27D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136758D+03 -0.285205D+00  0.947457D+00
      2  -0.285205D+00  0.108796D+03  0.254840D+01
      3   0.947457D+00  0.254840D+01  0.790246D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.698592D+00  0.286194D+01  0.177439D+01
      2   0.493339D+00  0.801610D+01 -0.163923D+02
      3  -0.516309D+01 -0.365143D+02 -0.794424D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.674510D+02  0.556027D+00 -0.530219D+00
      2  -0.128293D+02  0.301521D+00 -0.530709D+01
      3  -0.546217D+02 -0.857548D+00  0.583730D+01
      4   0.269520D+01  0.760033D+02  0.178456D+02
      5   0.105977D+02  0.178366D+02 -0.423676D+02
      6   0.688324D+01  0.724649D+01 -0.293481D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.295627D+01 -0.976207D+00 -0.328128D+00 -0.624227D+01 -0.958654D+00
      2  -0.976207D+00  0.375545D+01  0.350794D+00 -0.958654D+00 -0.646302D+00
      3  -0.328128D+00  0.350794D+00  0.181426D+01 -0.519320D+00  0.664904D+00
                 6             7             8             9            10 
      1  -0.519320D+00 -0.121392D+01 -0.364070D+00  0.304553D+01  0.612456D+01
      2   0.664904D+00 -0.364070D+00  0.100008D+01 -0.366636D+01  0.265695D+01
      3  -0.233718D+01  0.304553D+01 -0.366636D+01 -0.999296D+00  0.799447D+00
                11            12            13            14            15 
      1   0.265695D+01  0.799447D+00 -0.768253D+01 -0.271486D+00 -0.104689D+00
      2  -0.289332D+01  0.293254D-02 -0.271486D+00 -0.176955D+01  0.570162D+00
      3   0.293254D-02 -0.128501D+01 -0.104689D+00  0.570162D+00 -0.246458D+01
                16            17            18            19            20 
      1  -0.927955D+00  0.596659D+00 -0.137990D+01 -0.183108D+02 -0.123498D+01
      2   0.596659D+00  0.719090D+00 -0.407673D+01 -0.123498D+01 -0.222954D+01
      3  -0.137990D+01 -0.407673D+01 -0.151696D+01 -0.344638D+00  0.317828D-01
                21            22            23            24            25 
      1  -0.344638D+00 -0.208494D+01  0.203722D+01  0.894492D+00 -0.376678D+00
      2   0.317828D-01  0.203722D+01 -0.514243D+00 -0.334553D-01  0.619440D+00
      3  -0.249902D+01  0.894492D+00 -0.334553D-01  0.320196D+00 -0.414922D+01
                26            27            28            29            30 
      1   0.619440D+00 -0.414922D+01  0.454440D+01 -0.752284D+00  0.484231D+00
      2  -0.352623D+00 -0.437714D+00 -0.752284D+00 -0.398097D+01 -0.337297D+00
      3  -0.437714D+00 -0.154696D-01  0.484231D+00 -0.337297D+00 -0.185278D+01
                31            32            33            34            35 
      1   0.873589D+01 -0.299818D+00  0.389594D+00  0.133949D+01  0.558320D-01
      2  -0.299818D+00  0.842069D+00 -0.509591D+00  0.558320D-01 -0.777540D+00
      3   0.389594D+00 -0.509591D+00  0.177101D+01 -0.179295D+01  0.324827D+01
                36            37            38            39            40 
      1  -0.179295D+01 -0.523005D+01 -0.620506D+00 -0.438234D+00  0.607492D+01
      2   0.324827D+01 -0.620506D+00  0.240923D+01  0.417383D-02  0.228855D+00
      3   0.794341D+00 -0.438234D+00  0.417383D-02  0.893762D+00 -0.379174D-01
                41            42            43            44            45 
      1   0.228855D+00 -0.379174D-01  0.432014D+00 -0.394474D+00  0.208619D+01
      2   0.156770D+01 -0.666425D+00 -0.394474D+00 -0.752911D+00  0.424196D+01
      3  -0.666425D+00  0.268820D+01  0.208619D+01  0.424196D+01  0.141923D+01
                46            47            48            49            50 
      1   0.723571D+01  0.359875D+00  0.290173D-01  0.614110D+00 -0.733410D+00
      2   0.359875D+00  0.340906D+01  0.159308D-02 -0.733410D+00 -0.227438D+00
      3   0.290173D-01  0.159308D-02  0.334576D+01 -0.889487D+00 -0.205075D+00
                51            52            53            54            55 
      1  -0.889487D+00 -0.193044D+00 -0.725805D+00  0.573874D+01  0.304922D+01
      2  -0.205075D+00 -0.725805D+00 -0.526303D-01  0.688904D+00 -0.106756D+00
      3   0.402232D+00  0.573874D+01  0.688904D+00  0.627564D+00 -0.109097D+01
                56            57            58            59            60 
      1  -0.106756D+00 -0.109097D+01 -0.462994D+01  0.114478D+01 -0.157725D+01
      2  -0.186764D+00 -0.867947D+00  0.114478D+01  0.624263D+01  0.219494D+01
      3  -0.867947D+00  0.329976D+01 -0.157725D+01  0.219494D+01 -0.152823D+01
                61            62            63            64            65 
      1  -0.202933D+00 -0.888915D+00  0.647134D+01 -0.279110D+01  0.120275D+01
      2  -0.888915D+00  0.147206D+01 -0.333111D+00  0.120275D+01  0.101788D+00
      3   0.647134D+01 -0.333111D+00 -0.192622D+01 -0.782502D+00  0.990129D+00
                66            67            68            69            70 
      1  -0.782502D+00  0.401465D+01 -0.128067D+01  0.780224D+00 -0.255666D+01
      2   0.990129D+00 -0.128067D+01 -0.476430D+01 -0.144112D+01  0.575400D+00
      3  -0.446370D+01  0.780224D+00 -0.144112D+01  0.541326D+00 -0.530781D+01
                71            72            73            74            75 
      1   0.575400D+00 -0.530781D+01  0.827614D+01  0.209788D+01 -0.456694D+00
      2  -0.673781D+00  0.207007D+00  0.209788D+01 -0.104082D+01  0.735518D+00
      3   0.207007D+00  0.229544D+01 -0.456694D+00  0.735518D+00 -0.374931D+01
                76            77            78            79            80 
      1   0.347134D+01 -0.688675D+00  0.583839D+00  0.435776D+01  0.915446D+00
      2  -0.688675D+00 -0.373881D+01 -0.331384D+01  0.915446D+00 -0.263014D+01
      3   0.583839D+00 -0.331384D+01  0.206553D+01 -0.486445D+01  0.135928D+01
                81            82            83            84            85 
      1  -0.486445D+01 -0.211196D+00 -0.122969D+00 -0.722137D+00 -0.891364D+00
      2   0.135928D+01 -0.122969D+00  0.233104D+00 -0.176786D+00 -0.614418D-01
      3   0.119165D+01 -0.722137D+00 -0.176786D+00  0.294758D+01  0.922362D-01
                86            87            88            89            90 
      1  -0.614418D-01  0.922362D-01 -0.182759D+01  0.933170D-01  0.111895D+01
      2   0.647767D-01 -0.778631D+00  0.933170D-01 -0.114705D+01  0.622318D+00
      3  -0.778631D+00 -0.495936D+00  0.111895D+01  0.622318D+00 -0.798034D+01
                91            92            93            94            95 
      1   0.114485D-01 -0.123924D+01 -0.228507D+00 -0.216973D+01 -0.156517D+01
      2  -0.123924D+01 -0.986329D+00 -0.157276D+00 -0.156517D+01 -0.705810D+01
      3  -0.228507D+00 -0.157276D+00 -0.686442D+00 -0.134474D+00 -0.122973D+01
                96            97            98            99           100 
      1  -0.134474D+00 -0.224185D+00 -0.160550D+00 -0.971136D+00  0.342736D+00
      2  -0.122973D+01 -0.160550D+00 -0.133137D+01 -0.112024D+01 -0.780301D+00
      3  -0.150333D+01 -0.971136D+00 -0.112024D+01 -0.808877D+00  0.794682D+00
               101           102           103           104           105 
      1  -0.780301D+00  0.794682D+00 -0.129367D+01  0.196408D+00 -0.109963D+00
      2   0.906774D+00 -0.819034D+00  0.196408D+00 -0.192355D+01  0.223859D+01
      3  -0.819034D+00  0.228652D+01 -0.109963D+00  0.223859D+01 -0.297774D+01
               106           107           108           109           110 
      1   0.704841D+00 -0.320235D+00  0.505527D+00 -0.131915D+02 -0.161089D+01
      2  -0.320235D+00  0.197779D+01 -0.213588D+01 -0.161089D+01 -0.117201D+01
      3   0.505527D+00 -0.213588D+01  0.514358D+01  0.212096D+01  0.223916D+00
               111           112           113           114           115 
      1   0.212096D+01 -0.239031D+01 -0.144052D+01  0.446121D+00 -0.651332D+00
      2   0.223916D+00 -0.144052D+01 -0.413244D+00  0.533055D+00 -0.394362D-01
      3  -0.162160D+01  0.446121D+00  0.533055D+00 -0.646862D+00 -0.632990D+00
               116           117           118           119           120 
      1  -0.394362D-01 -0.632990D+00 -0.501726D+00  0.572982D+00  0.202907D+00
      2   0.656237D-01 -0.310065D+00  0.572982D+00  0.253077D+00  0.138650D-01
      3  -0.310065D+00  0.212588D-01  0.202907D+00  0.138650D-01  0.682681D+00
               121           122           123           124           125 
      1   0.184408D+01 -0.536113D+00 -0.781254D+00  0.298048D+00 -0.236821D+00
      2  -0.536113D+00  0.541875D+01  0.216474D+01 -0.236821D+00  0.151618D+01
      3  -0.781254D+00  0.216474D+01  0.246690D+01  0.111494D+00  0.106097D+01
               126           127           128           129           130 
      1   0.111494D+00 -0.342208D+01  0.230236D+01  0.115455D+00  0.276233D+01
      2   0.106097D+01  0.230236D+01 -0.243271D+01 -0.157903D+00 -0.288489D+01
      3   0.158053D+01  0.115455D+00 -0.157903D+00 -0.282762D+00 -0.227203D+00
               131           132           133           134           135 
      1  -0.288489D+01 -0.227203D+00  0.204453D+00 -0.274983D+00  0.119018D+00
      2   0.574902D+01  0.457769D+00 -0.274983D+00  0.515867D+00  0.479108D-01
      3   0.457769D+00  0.706502D+00  0.119018D+00  0.479108D-01  0.831758D-01
               136           137           138           139           140 
      1   0.216634D+01  0.257529D+01  0.332982D+00  0.230639D+01  0.386046D+01
      2   0.257529D+01  0.283002D+01  0.359723D+00  0.386046D+01  0.955755D+01
      3   0.332982D+00  0.359723D+00  0.343204D+00  0.492220D+00  0.111412D+01
               141           142           143           144           145 
      1   0.492220D+00  0.493903D+00  0.544890D+00  0.702385D-01  0.129572D+02
      2   0.111412D+01  0.544890D+00  0.125492D+01  0.696852D-01  0.143228D+01
      3   0.915068D+00  0.702385D-01  0.696852D-01  0.100413D+00  0.494442D+00
               146           147           148           149           150 
      1   0.143228D+01  0.494442D+00  0.143539D+01  0.173037D+01  0.257993D+00
      2   0.888150D+00  0.497288D-01  0.173037D+01  0.530826D+00  0.891731D-01
      3   0.497288D-01  0.822081D+00  0.257993D+00  0.891731D-01  0.129852D+00
               151           152           153           154           155 
      1   0.544200D+00  0.251613D+00 -0.197230D+00  0.500214D+01 -0.392717D+01
      2   0.251613D+00  0.578704D-01  0.552280D-02 -0.392717D+01  0.354613D+01
      3  -0.197230D+00  0.552280D-02  0.342754D-01 -0.330120D+00  0.258982D+00
               156           157           158           159           160 
      1  -0.330120D+00 -0.387321D+01  0.453854D+01  0.444118D+00 -0.312388D+00
      2   0.258982D+00  0.453854D+01 -0.660105D+01 -0.591568D+00  0.414108D+00
      3   0.520945D+00  0.444118D+00 -0.591568D+00 -0.733240D+00  0.573688D-01
               161           162           163           164           165 
      1   0.414108D+00  0.573688D-01 -0.145685D+01 -0.172464D+01 -0.241819D+00
      2  -0.725731D+00  0.366561D-01 -0.172464D+01 -0.225435D+01 -0.302602D+00
      3   0.366561D-01 -0.405863D-01 -0.241819D+00 -0.302602D+00 -0.182209D+00
               166           167           168           169           170 
      1  -0.161476D+01 -0.194341D+01 -0.275793D+00 -0.636796D-01 -0.365290D+00
      2  -0.194341D+01 -0.878384D+01 -0.101419D+01 -0.365290D+00 -0.119479D+01
      3  -0.275793D+00 -0.101419D+01 -0.900310D+00  0.120450D+00 -0.136314D+00
               171           172           173           174           175 
      1   0.120450D+00 -0.163824D+01 -0.104419D+00 -0.410376D+00  0.161364D+01
      2  -0.136314D+00 -0.104419D+00 -0.115597D+01 -0.204294D+00 -0.107238D+01
      3  -0.838183D-01 -0.410376D+00 -0.204294D+00 -0.333729D+00  0.276513D+00
               176           177           178           179           180 
      1  -0.107238D+01  0.276513D+00  0.175660D+00 -0.296124D+00 -0.149169D+00
      2   0.646710D+01 -0.243822D+00 -0.296124D+00  0.105907D+01  0.627930D+00
      3  -0.243822D+00  0.158059D+01 -0.149169D+00  0.627930D+00  0.800999D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.874987D+00 -0.623968D+00  0.308570D+01 -0.127014D+01 -0.331316D+00
      2  -0.470654D-01  0.854926D+00  0.256703D+01 -0.172864D+00  0.212430D+01
      3   0.648534D+01 -0.984242D+01 -0.546735D+00  0.870084D+01  0.285324D+01
                 6             7             8             9            10 
      1  -0.220326D+01  0.686111D+01  0.385855D+01  0.443648D+00  0.111048D+01
      2  -0.743906D+01 -0.351215D+01 -0.106349D+02 -0.253400D+01  0.708260D+00
      3  -0.942366D+00  0.443614D+00 -0.158702D+01  0.549633D+01 -0.100749D+02
                11            12            13            14            15 
      1   0.836211D+00 -0.250811D+01  0.415230D+00  0.553498D+00 -0.313812D+01
      2   0.848058D+00 -0.164669D+01  0.158988D+01 -0.438219D+00 -0.128888D+01
      3  -0.409277D+01 -0.155211D+01  0.464031D+01  0.681675D+01  0.161360D-01
                16            17            18            19            20 
      1  -0.491002D+01  0.420715D+00 -0.589680D+00 -0.158535D+01 -0.125894D+00
      2  -0.123697D+02 -0.200350D+01 -0.114320D+01 -0.310168D+01  0.680163D-01
      3  -0.115315D+00 -0.217346D+00  0.562374D+01  0.550385D+01  0.739928D+01
                21            22            23            24            25 
      1  -0.545596D-01 -0.102804D+01 -0.211210D+01  0.140175D+01 -0.644174D+00
      2  -0.195412D+01 -0.684184D+00  0.819692D+00 -0.921049D+00 -0.180506D+02
      3   0.721903D+00  0.189520D+02  0.125329D+01  0.903052D-01 -0.152247D+01
                26            27            28            29            30 
      1   0.106676D+02  0.192912D+01  0.139186D+00 -0.489988D+00  0.318592D+01
      2   0.155661D+00 -0.202530D+01  0.528953D+00  0.181062D+00 -0.137479D+01
      3  -0.626797D+00  0.846948D+00 -0.195354D+01  0.162107D+01  0.492358D+00
                31            32            33            34            35 
      1   0.314597D+00  0.154316D+00 -0.179942D+01  0.700178D+01  0.328422D+01
      2   0.182421D+01  0.257006D+00  0.105697D+01 -0.120926D+02  0.437518D+00
      3  -0.175337D+01 -0.710469D+01 -0.349737D+00 -0.667096D+00  0.794429D+00
                36            37            38            39            40 
      1   0.260982D+00 -0.417092D+00  0.848198D+00 -0.229750D+01  0.798473D+00
      2   0.427291D+00 -0.238641D+00  0.123694D+01 -0.136242D+00  0.607534D+00
      3  -0.631862D+01  0.585584D+01 -0.150580D+02 -0.143606D+01  0.362577D+01
                41            42            43            44            45 
      1   0.154444D+00 -0.408276D+01 -0.553358D+01  0.478044D+00 -0.722742D+00
      2  -0.179797D+01  0.650583D+01 -0.824054D+01  0.979901D+01  0.244618D+01
      3  -0.765624D+00  0.128960D+01  0.375425D+00  0.154570D+01 -0.481736D+01
                46            47            48            49            50 
      1   0.454495D+00 -0.232095D+00 -0.114306D+01 -0.889420D-01 -0.123734D+01
      2  -0.621819D-01 -0.292522D+00  0.909422D+01 -0.305177D+01 -0.235002D+00
      3  -0.428399D+01 -0.689263D+01  0.150077D+00  0.117394D+02 -0.407226D+01
                51            52            53            54            55 
      1   0.314068D+01 -0.223141D+01  0.115374D+02  0.171086D+01 -0.596663D+00
      2   0.184393D+01  0.915782D+01  0.261224D+01  0.141910D+01  0.578731D+01
      3   0.204479D+00  0.198031D+01  0.275224D+00 -0.171121D+01 -0.445289D+01
                56            57            58            59            60 
      1  -0.472929D+00  0.348860D+00  0.138427D+01  0.188505D+01 -0.284454D+01
      2   0.139118D+01 -0.397944D+01 -0.493335D+00 -0.549279D+01  0.273987D+01
      3   0.131665D+01 -0.104791D+01  0.113804D+02  0.128597D+02  0.635812D+01
                61            62            63            64            65 
      1   0.143879D+01  0.181032D+01 -0.144893D+01 -0.566320D+00  0.281317D+01
      2  -0.163200D+02  0.740047D+00  0.305105D+01 -0.211833D+01 -0.176155D+01
      3   0.657385D+00  0.666726D+01 -0.487280D+01  0.682359D+01 -0.973905D+01
                66            67            68            69            70 
      1   0.130833D+01 -0.305704D+00  0.826278D+01 -0.193618D+01 -0.473447D+00
      2   0.192034D+02  0.107620D+01  0.269342D+01 -0.399889D+00  0.849354D+01
      3   0.366075D+01 -0.214355D+01 -0.165451D+02 -0.395835D+01  0.141860D+01
                71            72            73            74            75 
      1   0.521456D+01 -0.303801D+01  0.301856D+01 -0.250333D+01  0.483848D+00
      2   0.831580D+00 -0.126594D+02 -0.121662D+02 -0.476651D+01  0.139952D+02
      3  -0.524549D+01 -0.626178D+00  0.580878D+01 -0.717034D+01  0.111313D+01
                76            77            78            79            80 
      1  -0.232911D+00 -0.689784D+01 -0.806226D+01 -0.116934D+01 -0.355886D+01
      2  -0.323577D+01  0.107211D+02 -0.612984D+01  0.907955D+01 -0.455158D+01
      3  -0.101567D+01 -0.122262D+02 -0.105185D+02 -0.618559D+00 -0.102689D+02
                81            82            83            84            85 
      1   0.432830D+01 -0.139871D+00 -0.162837D+01 -0.148418D+01 -0.719301D+00
      2   0.328749D+01  0.455318D+01  0.458066D-01 -0.849207D+01 -0.176102D+01
      3   0.631850D+01 -0.807516D+00  0.867857D+00 -0.387869D+00  0.128244D+01
                86            87            88            89            90 
      1  -0.140353D+00  0.785792D-02 -0.842332D+00  0.281945D+01  0.227156D+01
      2   0.152568D+01  0.122581D+01 -0.888729D+01 -0.178815D+01  0.224309D+02
      3   0.572382D+00 -0.116159D+01 -0.381587D+00 -0.174214D+01  0.336570D+01
                91            92            93            94            95 
      1  -0.144647D+00 -0.661117D-01 -0.759455D+00 -0.287994D+00  0.118473D+00
      2   0.269722D+00  0.201063D+00  0.210298D+01  0.848888D-02  0.263326D+01
      3  -0.379716D+01 -0.265800D+01 -0.213020D+00  0.258944D+01 -0.134461D+02
                96            97            98            99           100 
      1  -0.337401D+01 -0.410783D+00  0.100274D+01 -0.871000D+00 -0.132816D+01
      2   0.303649D+01  0.183059D+00  0.157882D+01  0.155650D+01 -0.419352D+01
      3  -0.291607D+01  0.269960D+00 -0.286197D+01 -0.112528D+01 -0.286052D+01
               101           102           103           104           105 
      1   0.229989D+01 -0.115118D+00  0.104658D+01 -0.292442D+01  0.105261D+01
      2   0.322513D+01 -0.588596D+01  0.332482D+01 -0.621699D+01  0.759235D+01
      3   0.243318D+01 -0.222085D+01  0.297108D+01 -0.438618D+01  0.550636D+01
               106           107           108           109           110 
      1  -0.199521D+00  0.461372D+01 -0.163708D+01 -0.162534D+01 -0.237857D+01
      2  -0.546259D+01  0.608169D+01 -0.132167D+02  0.102869D+02  0.155306D+01
      3  -0.148996D+01  0.480508D+01 -0.577285D+01 -0.889046D+00 -0.636435D+01
               111           112           113           114           115 
      1  -0.725286D+00 -0.170022D+01 -0.536027D-01 -0.279123D+00 -0.515530D-01
      2   0.565559D+01  0.184403D+01 -0.536106D-01  0.179765D+01  0.667424D+00
      3   0.131980D+00 -0.233336D+01 -0.711226D+00  0.133569D+01  0.210382D+00
               116           117           118           119           120 
      1   0.844020D+00 -0.500990D+00  0.146912D+01  0.902299D+00 -0.304931D+00
      2   0.676752D+00  0.844905D+00 -0.958929D+00 -0.915174D+00 -0.139639D+01
      3   0.124272D+01 -0.637432D+00  0.261166D+01  0.116562D+01  0.122141D+00
               121           122           123           124           125 
      1   0.211250D+00  0.103701D+02  0.900809D+00 -0.326090D+00  0.405187D+01
      2  -0.152011D+01 -0.594203D+01 -0.539692D+01 -0.172832D+01 -0.221207D+01
      3   0.219694D+01  0.160414D+02  0.582029D+01 -0.436418D+00  0.410906D+01
               126           127           128           129           130 
      1   0.154870D+01  0.211401D+00 -0.552691D+00  0.221583D+01 -0.152426D-01
      2  -0.382782D+01  0.122702D+01 -0.252487D+00  0.100311D+01 -0.624897D+00
      3   0.272233D+01 -0.102041D+02  0.395760D+01  0.753224D-01  0.763901D+01
               131           132           133           134           135 
      1   0.828848D-01 -0.314230D+01 -0.693910D-01  0.207421D+01 -0.245917D-01
      2   0.573448D+00 -0.156157D+01 -0.187640D+01  0.143348D+00 -0.251823D+00
      3  -0.554932D+01 -0.666132D+00 -0.374196D+00 -0.597679D+00 -0.244368D-01
               136           137           138           139           140 
      1  -0.550535D-01  0.901136D-01 -0.156435D+01 -0.746737D-01  0.275128D+00
      2   0.477271D-01  0.268295D+00  0.146869D+01  0.259533D+00  0.153574D+01
      3  -0.748132D+00 -0.272348D+01 -0.242152D+00 -0.133199D+01 -0.139130D+02
               141           142           143           144           145 
      1  -0.442037D+01  0.705346D+00  0.197436D+01 -0.360199D+00 -0.352662D-01
      2   0.274955D+01 -0.829251D+00 -0.470880D+00  0.300337D+00  0.470312D+00
      3  -0.148498D+01 -0.131836D+00 -0.185523D+01 -0.144149D+00 -0.839976D+00
               146           147           148           149           150 
      1   0.177315D+00 -0.684862D+00  0.185011D-02  0.410798D-01 -0.497404D+00
      2  -0.530097D-02  0.598263D+01  0.856121D+00  0.194001D+00  0.842162D+00
      3  -0.538547D+01  0.204968D-01 -0.396272D+01 -0.175301D+01 -0.238442D+00
               151           152           153           154           155 
      1   0.565968D+00  0.528573D+00 -0.462193D-02  0.540075D-01 -0.265802D+00
      2  -0.341472D+01 -0.305855D+00  0.151416D+00 -0.134678D+00  0.121935D+00
      3  -0.820909D+00 -0.404478D+00  0.133855D+00  0.144520D+01 -0.486313D+01
               156           157           158           159           160 
      1   0.224114D+01  0.148511D+00  0.101787D+00 -0.331386D+01 -0.854277D+00
      2   0.288701D+01  0.530392D+00 -0.893887D+00 -0.315956D+01 -0.109211D+01
      3  -0.170581D+00 -0.340142D+01  0.110644D+02  0.844146D+00 -0.623803D+00
               161           162           163           164           165 
      1   0.164059D+01 -0.107028D+00  0.109343D+00  0.619831D-01 -0.138518D+01
      2   0.736275D+00 -0.181491D+00 -0.808812D+00 -0.634049D+00  0.396054D+00
      3   0.114389D+01 -0.272283D+00  0.605311D+01  0.382320D+01  0.578243D+00
               166           167           168           169           170 
      1  -0.319134D-01  0.374845D+00 -0.423554D+01  0.560247D+00  0.218240D+01
      2  -0.672469D+00 -0.127429D+01  0.595461D+00 -0.168697D+01 -0.141140D+00
      3   0.720377D+01  0.888388D+01  0.127522D+01  0.124534D+01  0.116797D+01
               171           172           173           174           175 
      1  -0.335063D+00  0.802161D+00  0.131057D+01  0.156968D+00  0.961490D+00
      2   0.101780D+00  0.423471D+00 -0.936417D-01  0.254590D-01  0.295207D+00
      3  -0.800808D-01  0.464431D+00 -0.219613D+01 -0.523996D+00  0.140188D+01
               176           177           178           179           180 
      1  -0.995161D+01 -0.269027D+01  0.442665D+00 -0.104313D+01 -0.157835D+01
      2  -0.732833D+00 -0.368932D+01 -0.399368D+00 -0.154378D+01 -0.647356D+00
      3   0.199867D+02 -0.340797D-01  0.581136D+00  0.365573D+01  0.189528D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.409693D+01  0.256953D+02  0.297800D+01 -0.311663D+02  0.533114D+01
      2   0.259299D+00 -0.169480D+02  0.294577D+00  0.304826D+02 -0.978738D+01
      3   0.383763D+01 -0.874730D+01 -0.327258D+01  0.683631D+00  0.445624D+01
      4   0.130514D+02  0.364002D+01  0.777425D+00 -0.579258D-01  0.939734D+01
      5   0.636755D+00  0.831748D+00  0.505934D+01 -0.316835D+01  0.490689D+01
      6  -0.754647D-01 -0.104764D+01 -0.829895D+01  0.408706D+01 -0.405615D+01
                 6             7             8             9            10 
      1   0.704379D+00 -0.455046D+01  0.214062D+01  0.132081D+01  0.155207D+02
      2  -0.778532D+00  0.574679D+01 -0.450131D+01 -0.825483D+01 -0.100061D+02
      3   0.741534D-01 -0.119633D+01  0.236070D+01  0.693402D+01 -0.551468D+01
      4   0.498049D+01 -0.171650D+01  0.457718D+01 -0.168953D+02 -0.252857D+01
      5  -0.160701D+02  0.209990D+02 -0.167352D+02 -0.540812D+01 -0.390884D+00
      6   0.493827D+01 -0.799188D+01  0.136794D+02 -0.923362D-01 -0.100197D+00
                11            12            13            14            15 
      1  -0.114234D+02 -0.374230D+00  0.864960D+00  0.830848D+01  0.226668D+01
      2   0.846920D+01 -0.557478D+00 -0.105641D+02 -0.153217D+02 -0.475267D+01
      3   0.295424D+01  0.931707D+00  0.969914D+01  0.701323D+01  0.248599D+01
      4  -0.182761D+02 -0.156140D+01  0.989967D+01 -0.153305D+02 -0.110992D+01
      5  -0.151930D+01 -0.473612D+01  0.101873D+01 -0.125960D+01 -0.425064D+00
      6  -0.667264D+00  0.593743D+01 -0.291429D+01 -0.588690D+01  0.720967D+01
                16            17            18            19            20 
      1   0.117975D+01  0.185718D+01 -0.158036D+02 -0.185892D+02 -0.547301D+01
      2  -0.299838D+01 -0.623772D+01  0.272948D+01  0.360653D+01  0.377115D+01
      3   0.181864D+01  0.438054D+01  0.130741D+02  0.149827D+02  0.170185D+01
      4  -0.979348D+00 -0.165551D+01 -0.688892D+01 -0.338738D+01  0.185442D+01
      5   0.646195D+01 -0.552482D+01 -0.162512D+01 -0.115090D+01 -0.914293D+00
      6   0.171984D+01  0.165327D+02  0.301144D+01 -0.235523D+01  0.196441D+00
                21            22            23            24            25 
      1  -0.115671D+01 -0.771567D+00 -0.104496D+02 -0.735412D+00 -0.821840D+00
      2  -0.972706D+00 -0.361723D+01  0.188969D+02  0.411419D+01 -0.193888D+01
      3   0.212942D+01  0.438880D+01 -0.844729D+01 -0.337877D+01  0.276072D+01
      4  -0.581650D+00 -0.123029D+02 -0.694710D+00  0.387387D+00 -0.313747D+01
      5   0.285747D+01 -0.444431D+01  0.478564D-01 -0.198416D+01  0.823077D+01
      6   0.240753D+01 -0.211333D+01  0.298810D+01 -0.423109D+01  0.259947D+01
                26            27            28            29            30 
      1  -0.168186D+01 -0.585285D+01 -0.288834D+01  0.185825D+02  0.202624D+01
      2   0.278731D+01 -0.593838D+01  0.207025D+01 -0.131211D+02  0.117786D+01
      3  -0.110545D+01  0.117912D+02  0.818088D+00 -0.546144D+01 -0.320410D+01
      4   0.166316D+01  0.100123D+00  0.126367D+02 -0.129195D+02 -0.571387D+00
      5  -0.101806D+00 -0.138769D+01 -0.966105D+00 -0.851065D+00 -0.316476D+01
      6   0.514194D+01 -0.148494D+01  0.108751D+01 -0.454807D+00 -0.814019D+01
                31            32            33            34            35 
      1  -0.613104D+01  0.456580D+01  0.238656D+01 -0.208099D+01  0.235925D+01
      2   0.166227D+02 -0.881553D+01 -0.150456D+01  0.493188D+01 -0.366696D+01
      3  -0.104917D+02  0.424973D+01 -0.882003D+00 -0.285089D+01  0.130771D+01
      4   0.579040D+01  0.144916D+02  0.183129D+01  0.186382D+01  0.546561D+00
      5   0.584604D+00  0.190831D+01 -0.138735D+01  0.950341D+00  0.132300D+01
      6   0.495109D+01 -0.283168D+01  0.481213D+01 -0.660336D+01  0.112717D+02
                36            37            38            39            40 
      1  -0.145496D+02  0.110686D+02 -0.231643D+02 -0.187166D+01  0.219083D+02
      2   0.235205D+01 -0.114071D+02  0.153404D+02  0.730078D-01 -0.202012D+02
      3   0.121976D+02  0.338475D+00  0.782389D+01  0.179866D+01 -0.170716D+01
      4   0.294192D+01 -0.180696D+02 -0.462815D+01 -0.147899D+01  0.132637D+02
      5  -0.447065D+00 -0.785733D+00 -0.117045D+01 -0.194150D+01 -0.796302D+00
      6   0.973400D-01 -0.239152D+01 -0.330752D+00  0.524990D+01 -0.284898D+01
                41            42            43            44            45 
      1   0.117329D+02  0.179080D+01  0.244489D+01  0.578096D+00 -0.666731D+01
      2  -0.179450D+02 -0.423552D+01 -0.418388D+01 -0.533587D+01 -0.260072D+01
      3   0.621210D+01  0.244472D+01  0.173900D+01  0.475777D+01  0.926804D+01
      4  -0.347675D+01 -0.384063D+01 -0.200577D+01 -0.549240D+01  0.159800D+02
      5  -0.360277D+01  0.134167D+02  0.134280D+02  0.160870D+02  0.513242D+01
      6  -0.656727D+01  0.875123D+01  0.703590D+01  0.173624D+02  0.216201D+01
                46            47            48            49            50 
      1  -0.930942D+01 -0.455535D+01 -0.244270D+01  0.115806D+02 -0.233756D+02
      2   0.610189D+01  0.318452D+01  0.797233D+00 -0.114011D+02  0.216483D+02
      3   0.320753D+01  0.137084D+01  0.164546D+01 -0.179430D+00  0.172729D+01
      4  -0.100357D+01  0.234257D+02  0.179613D+00 -0.227504D+02 -0.189156D+01
      5  -0.295983D+01 -0.161252D+00  0.206192D+02 -0.631596D+01 -0.156549D+01
      6   0.509082D+00  0.534000D-01  0.277084D+01 -0.176355D+01  0.299160D+01
                51            52            53            54            55 
      1  -0.434295D+01 -0.159205D+01 -0.457159D+01  0.155591D+02  0.115937D+02
      2   0.568009D+01 -0.830282D+00  0.340135D+01 -0.188845D+02 -0.331883D+01
      3  -0.133715D+01  0.242233D+01  0.117024D+01  0.332540D+01 -0.827490D+01
      4  -0.173151D+01 -0.727132D+01 -0.820113D+00  0.419309D+01  0.436873D+01
      5   0.418591D+01  0.394959D+02  0.416034D+01  0.324919D+01  0.480040D+01
      6  -0.584623D+01  0.262052D+01  0.580623D+01 -0.239430D+01 -0.550383D+00
                56            57            58            59            60 
      1  -0.999311D+00  0.585594D+00  0.184265D+02  0.680945D+01  0.587200D+01
      2  -0.201455D+00 -0.353307D+01 -0.176294D+02 -0.152227D+02 -0.871943D+01
      3   0.120077D+01  0.294747D+01 -0.797080D+00  0.841329D+01  0.284743D+01
      4  -0.754732D+01  0.254957D+01 -0.678494D+01 -0.257776D+02 -0.110932D+02
      5   0.199419D+01 -0.179541D+02  0.133458D+02 -0.938037D+01  0.105151D+02
      6  -0.153694D+01  0.190282D+01 -0.399070D+01 -0.451644D+01  0.629018D+00
                61            62            63            64            65 
      1  -0.636281D+01  0.290266D+01 -0.121091D+02  0.209209D+02 -0.213266D-01
      2  -0.169710D+01 -0.332666D+01  0.145633D+02 -0.107576D+02 -0.135932D+01
      3   0.805991D+01  0.423994D+00 -0.245416D+01 -0.101633D+02  0.138064D+01
      4   0.728380D+01 -0.106338D+02  0.313870D+01 -0.750650D+01  0.124475D+02
      5  -0.429908D+02  0.222942D+01  0.615616D+01  0.768579D+01 -0.519214D+01
      6   0.523855D+00 -0.435029D+01  0.143340D+01 -0.436528D+01  0.461125D+01
                66            67            68            69            70 
      1  -0.792505D+01 -0.114784D+02  0.897565D+01 -0.302024D+01 -0.514708D+00
      2  -0.637947D+01  0.979793D+01 -0.129119D+02  0.867376D+00 -0.100540D+02
      3   0.143045D+02  0.168043D+01  0.393621D+01  0.215286D+01  0.105687D+02
      4  -0.404471D+01  0.156607D+02  0.227355D+02  0.935397D+01 -0.399100D+01
      5   0.272931D+02 -0.854133D+01  0.108869D+02 -0.471533D+01  0.364176D+02
      6  -0.406952D+01  0.696588D+01  0.724865D+01  0.606141D+01 -0.351877D+01
                71            72            73            74            75 
      1   0.145173D+01  0.264566D+02 -0.507771D+02 -0.134904D+02  0.139550D+02
      2  -0.288384D+01 -0.104367D+02  0.233264D+02  0.470370D+01  0.303304D+00
      3   0.143211D+01 -0.160199D+02  0.274507D+02  0.878673D+01 -0.142583D+02
      4   0.882375D+01 -0.460258D+01 -0.174391D+02  0.598227D+01 -0.151321D+01
      5  -0.151624D+01  0.802141D+01  0.171014D+02  0.164889D+01  0.155996D+02
      6   0.673907D+01 -0.149486D+01  0.687631D+01 -0.531463D+01  0.301093D+01
                76            77            78            79            80 
      1  -0.161008D+02  0.125647D+02 -0.570160D+01  0.371597D+00 -0.834856D+01
      2   0.100621D+02 -0.203801D+01 -0.141994D+01  0.113363D+02  0.213633D+00
      3   0.603866D+01 -0.105267D+02  0.712154D+01 -0.117079D+02  0.813492D+01
      4   0.301790D+01  0.204701D+02  0.148128D+02 -0.374167D+01  0.135908D+02
      5   0.237067D+01  0.111270D+02 -0.553109D+01  0.267980D+02 -0.330034D+01
      6  -0.118679D+01 -0.988366D+01 -0.120953D+02  0.273540D+01 -0.933249D+01
                81            82            83            84            85 
      1   0.186001D+02  0.282356D+01 -0.688956D-01  0.123329D+02  0.396704D+01
      2  -0.148779D+02 -0.319767D+01  0.452632D+00  0.334988D+01 -0.188317D+01
      3  -0.372222D+01  0.374105D+00 -0.383736D+00 -0.156828D+02 -0.208387D+01
      4  -0.499773D+01  0.408409D+00 -0.146621D+01 -0.526582D+00  0.118108D+01
      5  -0.150939D+02  0.196029D+01  0.899841D+00 -0.652437D+01  0.276655D+00
      6   0.804553D+01  0.611067D+00 -0.158740D+01  0.104703D+01 -0.254098D+00
                86            87            88            89            90 
      1  -0.360927D+01 -0.774389D+00  0.121569D+02  0.199053D+01 -0.288872D+02
      2   0.853152D+00 -0.195437D+00 -0.186800D+01 -0.659861D+00 -0.100526D+02
      3   0.275612D+01  0.969826D+00 -0.102889D+02 -0.133067D+01  0.389399D+02
      4  -0.846015D+00  0.252932D+01 -0.237765D+01  0.315643D+01 -0.221335D+00
      5   0.181511D+01  0.760773D+00  0.153049D+01 -0.221792D+01  0.227531D+02
      6  -0.467638D+00  0.579154D+01  0.766723D+00  0.488575D+01 -0.522116D+01
                91            92            93            94            95 
      1   0.162951D+01  0.335291D+01  0.113537D+01  0.494922D+00 -0.138310D+02
      2   0.266035D+01 -0.354752D-01  0.119437D+00  0.383475D+01  0.266410D+02
      3  -0.428987D+01 -0.331743D+01 -0.125481D+01 -0.432967D+01 -0.128101D+02
      4   0.736681D+01  0.101975D+02  0.167785D+01  0.107998D+02  0.302727D+02
      5   0.160939D+01  0.166690D+01  0.521379D+01  0.964800D+00  0.466942D+01
      6   0.212092D+01  0.862997D+00  0.281464D+00  0.107501D+01  0.773359D+01
                96            97            98            99           100 
      1  -0.256064D+01  0.111706D+01 -0.257628D+01 -0.308815D+01 -0.235318D+01
      2   0.382871D+01  0.425378D+00  0.266638D+01  0.183835D+01 -0.344713D+00
      3  -0.126806D+01 -0.154244D+01 -0.900968D-01  0.124980D+01  0.269789D+01
      4   0.534149D+01  0.168926D+01  0.562185D+01  0.458891D+01  0.194409D+01
      5   0.655292D+01  0.622100D+01  0.422420D+01  0.280955D+01  0.151932D+00
      6   0.573699D+01  0.131621D+01  0.815797D+01  0.349180D+01 -0.346404D+01
               101           102           103           104           105 
      1   0.668827D+01 -0.106709D+02  0.693753D+01 -0.113641D+02  0.116665D+02
      2  -0.236367D+01 -0.406789D+00 -0.366577D+01  0.494273D+01  0.369512D+00
      3  -0.432460D+01  0.110777D+02 -0.327175D+01  0.642141D+01 -0.120361D+02
      4  -0.228889D+01  0.174923D+01  0.179668D+01  0.669892D+01 -0.888043D+01
      5  -0.781209D-01 -0.349246D+01 -0.388574D+01 -0.660231D+01  0.967323D+01
      6   0.486908D+01 -0.494187D+01  0.102757D+01 -0.102718D+02  0.129522D+02
               106           107           108           109           110 
      1  -0.604592D+01  0.100990D+02 -0.216288D+02  0.804238D+02  0.914439D+01
      2   0.880488D+00  0.334536D+00 -0.601832D+01 -0.426461D+02 -0.345141D+01
      3   0.516543D+01 -0.104335D+02  0.276471D+02 -0.377777D+02 -0.569298D+01
      4   0.182299D+00 -0.831227D+01  0.819500D+01  0.160014D+02  0.125176D+02
      5   0.430890D+01  0.663259D+01 -0.154398D+02 -0.327978D+02 -0.410443D+01
      6  -0.151198D+01  0.115329D+02 -0.139104D+02 -0.522621D+01 -0.405554D+01
               111           112           113           114           115 
      1  -0.819268D+01  0.117459D+02  0.619499D+01 -0.163364D+00  0.310397D+01
      2   0.831141D+01 -0.477601D+01 -0.214628D+01  0.138663D+01  0.689601D+00
      3  -0.118733D+00 -0.696990D+01 -0.404871D+01 -0.122327D+01 -0.379357D+01
      4  -0.235453D+01  0.136268D+02  0.441566D+01 -0.311064D+01  0.393582D+00
      5   0.159925D+02 -0.591949D+01 -0.430166D+01  0.383120D+01  0.791471D+01
      6   0.160154D+01 -0.336773D+01 -0.834634D+00  0.299466D+01  0.833970D+00
               116           117           118           119           120 
      1   0.917932D+00  0.377457D+01  0.412126D+01 -0.253543D+01 -0.399659D+01
      2   0.535708D+00 -0.313466D+01 -0.128750D+01  0.178373D+01  0.327987D+00
      3  -0.145364D+01 -0.639909D+00 -0.283375D+01  0.751702D+00  0.366860D+01
      4  -0.801590D+00  0.227186D+01 -0.168417D+01  0.100684D+01  0.619339D+00
      5   0.180361D+01 -0.183196D+01 -0.225741D+01  0.168431D+01 -0.847513D+00
      6   0.191861D+01 -0.904860D+00  0.181481D+01  0.108870D+01  0.175510D+00
               121           122           123           124           125 
      1  -0.587705D+01 -0.899787D+01 -0.432311D+01 -0.183226D+01 -0.316556D+01
      2   0.360122D+01  0.801769D+01 -0.184885D+01  0.972643D+00 -0.792787D+00
      3   0.227583D+01  0.980181D+00  0.617196D+01  0.859621D+00  0.395835D+01
      4   0.624052D+01 -0.273186D+02 -0.107463D+02  0.132632D+01 -0.743672D+01
      5   0.765557D+01 -0.918422D+01 -0.117671D+02  0.197383D+01 -0.475484D+01
      6  -0.179282D+01  0.189152D+02  0.111584D+02 -0.106406D+01  0.958237D+01
               126           127           128           129           130 
      1  -0.681913D+01 -0.456056D+01  0.682001D+01  0.554559D+00  0.757979D+01
      2  -0.399783D+00  0.634928D+01 -0.101071D+02 -0.598245D+00 -0.108763D+02
      3   0.721891D+01 -0.178872D+01  0.328704D+01  0.436865D-01  0.329656D+01
      4  -0.506016D+01 -0.851819D+01  0.854372D+01  0.478588D+00  0.851307D+01
      5  -0.583154D+01 -0.517053D+00  0.393672D+00  0.220926D+01  0.278260D+00
      6   0.527309D+01  0.372993D+00 -0.916568D+00 -0.187116D+01 -0.127084D+01
               131           132           133           134           135 
      1  -0.207062D+02 -0.210996D+01  0.560395D+00 -0.164041D+01 -0.275498D+00
      2   0.282894D+02  0.177798D+01 -0.978726D+00  0.217358D+01  0.948632D+00
      3  -0.758326D+01  0.331975D+00  0.418331D+00 -0.533172D+00 -0.673134D+00
      4  -0.894000D+01 -0.540838D+00  0.829622D+00 -0.524212D+00 -0.179779D+01
      5  -0.796047D+00 -0.180004D+01  0.551076D+00 -0.446014D+00 -0.513906D+00
      6   0.253362D+01  0.486420D+01 -0.748941D-01  0.133781D+01  0.689457D+00
               136           137           138           139           140 
      1   0.521514D+01  0.420242D+01  0.457814D+00 -0.112484D+01 -0.165501D+02
      2   0.377253D+01  0.605491D+01  0.295993D+00  0.124554D+02  0.403743D+02
      3  -0.898767D+01 -0.102573D+02 -0.753806D+00 -0.113305D+02 -0.238243D+02
      4   0.181092D+02  0.232630D+02  0.266011D+01  0.247715D+02  0.477614D+02
      5   0.227501D+01  0.259383D+01  0.381059D+01  0.290410D+01  0.515828D+01
      6   0.175444D+01  0.214420D+01  0.217569D+01  0.301963D+01  0.730475D+01
               141           142           143           144           145 
      1  -0.202480D+01 -0.488686D-01 -0.174248D+01 -0.115861D+01  0.979682D+02
      2   0.330066D+01  0.143112D+01  0.446919D+01  0.212483D+01 -0.548116D+02
      3  -0.127586D+01 -0.138225D+01 -0.272671D+01 -0.966227D+00 -0.431566D+02
      4   0.539596D+01  0.332667D+01  0.636425D+01  0.163585D+01  0.155887D+02
      5   0.455311D+01  0.886282D+00  0.107129D+01  0.842509D+00  0.490784D+01
      6   0.746253D+01  0.119485D+01  0.233010D+01  0.150476D+01 -0.932103D+00
               146           147           148           149           150 
      1   0.979474D+01  0.318616D+01  0.909645D+01  0.970241D+01  0.106726D+01
      2  -0.476287D+01 -0.214731D+01 -0.392346D+01 -0.429929D+01 -0.893280D+00
      3  -0.503188D+01 -0.103885D+01 -0.517299D+01 -0.540312D+01 -0.173976D+00
      4   0.100483D+02  0.445768D+00  0.163795D+02  0.505830D+01  0.829447D+00
      5   0.437391D+00  0.962139D+01  0.216887D+01  0.816317D+00  0.123414D+01
      6   0.149248D+00  0.815946D+00  0.463483D+00 -0.550044D-02  0.179357D+01
               151           152           153           154           155 
      1   0.410474D+01  0.115058D+01  0.194112D+01  0.222537D+02 -0.138271D+02
      2  -0.222419D+01 -0.584556D+00 -0.102181D+01 -0.374755D+01 -0.129482D+01
      3  -0.188055D+01 -0.566019D+00 -0.919309D+00 -0.185061D+02  0.151219D+02
      4   0.240407D+01  0.945681D+00  0.366931D+00 -0.334725D+02  0.305513D+02
      5   0.435369D+00  0.110729D+00  0.567391D+00 -0.338172D+01  0.246943D+01
      6   0.179309D-01  0.523355D+00  0.277537D+00  0.133330D+01 -0.115467D+01
               156           157           158           159           160 
      1  -0.135163D+01 -0.956185D+01  0.380585D+01  0.382852D+00 -0.436026D+00
      2   0.435240D+00 -0.673222D+01  0.170508D+02  0.450545D+00 -0.831150D+00
      3   0.916392D+00  0.162941D+02 -0.208566D+02 -0.833397D+00  0.126718D+01
      4   0.226631D+01  0.345268D+02 -0.443428D+02 -0.383665D+01  0.323124D+01
      5   0.564677D+01  0.356769D+01 -0.409283D+01 -0.482034D+01  0.129269D+01
      6  -0.289541D+01 -0.223233D+01  0.302833D+01  0.548638D+01 -0.993681D+00
               161           162           163           164           165 
      1   0.269873D-01 -0.375426D-01 -0.509726D+01 -0.907350D+01 -0.133475D+01
      2   0.161377D+01  0.976818D+00  0.677817D+01  0.114161D+02  0.105772D+01
      3  -0.164076D+01 -0.939275D+00 -0.168090D+01 -0.234262D+01  0.277033D+00
      4  -0.389763D+01 -0.144541D+01  0.346869D+01  0.732265D+01  0.684676D+00
      5  -0.120381D+01 -0.567453D+00  0.443268D+00  0.505762D+00  0.155355D+01
      6   0.151952D+01  0.854002D+00  0.123968D+01  0.201859D+01  0.183020D+01
               166           167           168           169           170 
      1  -0.714154D+01 -0.340713D+02 -0.416835D+01 -0.129392D+01 -0.460318D+01
      2   0.898032D+01  0.467262D+02  0.412760D+01  0.166778D+01  0.595328D+01
      3  -0.183878D+01 -0.126549D+02  0.407543D-01 -0.373855D+00 -0.135010D+01
      4   0.525232D+01 -0.106124D+01 -0.439075D+00  0.799904D+00  0.503055D-01
      5   0.694357D+00 -0.655545D+00  0.244674D+00  0.101553D+00  0.639966D+00
      6   0.142157D+01  0.718393D+01  0.703218D+01  0.335881D+00  0.209457D+01
               171           172           173           174           175 
      1  -0.132553D+01  0.647675D+01 -0.287707D-01  0.336855D+01 -0.305850D+01
      2   0.218735D+01 -0.457192D+01 -0.134109D+01 -0.258022D+01 -0.947344D+00
      3  -0.861817D+00 -0.190483D+01  0.136986D+01 -0.788324D+00  0.400585D+01
      4   0.125327D+01  0.380247D+00  0.512080D+01  0.109237D+01  0.793351D+01
      5   0.279440D+00  0.458292D+01  0.141348D+01  0.220896D+01 -0.275857D+01
      6   0.144111D+01  0.174032D+01  0.107230D+01  0.101027D+01  0.167163D+01
               176           177           178           179           180 
      1  -0.756672D+01  0.208880D+01 -0.910777D-01  0.115643D+01 -0.213242D+01
      2   0.201080D+02  0.184280D+01 -0.110904D+01  0.214189D+01  0.121641D+01
      3  -0.125413D+02 -0.393160D+01  0.120012D+01 -0.329833D+01  0.916015D+00
      4  -0.319069D+02  0.814537D+00  0.189014D+01 -0.576573D+01 -0.275639D+01
      5   0.104743D+00 -0.646718D+01  0.175119D+01 -0.276637D+01 -0.717139D+00
      6  -0.120578D+02  0.352288D+01 -0.227133D+00  0.206185D+01 -0.230256D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:01:07 2021, MaxMem=  5368709120 cpu:           22180.5 elap:            2774.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.43176 -10.32939 -10.30475 -10.30306 -10.30247
 Alpha  occ. eigenvalues --  -10.30072 -10.30064 -10.29988 -10.28595  -0.99896
 Alpha  occ. eigenvalues --   -0.95894  -0.86685  -0.85099  -0.82163  -0.72782
 Alpha  occ. eigenvalues --   -0.70415  -0.67046  -0.61215  -0.58344  -0.55652
 Alpha  occ. eigenvalues --   -0.54457  -0.52758  -0.51210  -0.50544  -0.47925
 Alpha  occ. eigenvalues --   -0.46039  -0.44835  -0.43918  -0.42644  -0.41722
 Alpha  occ. eigenvalues --   -0.34224  -0.33384  -0.31458
 Alpha virt. eigenvalues --    0.03432   0.04232   0.04413   0.05053   0.05308
 Alpha virt. eigenvalues --    0.05401   0.05883   0.05904   0.07049   0.07677
 Alpha virt. eigenvalues --    0.07976   0.08568   0.09896   0.11417   0.12509
 Alpha virt. eigenvalues --    0.12858   0.13283   0.13624   0.14117   0.14634
 Alpha virt. eigenvalues --    0.14910   0.15014   0.15293   0.15724   0.15962
 Alpha virt. eigenvalues --    0.16740   0.17029   0.17782   0.17926   0.18514
 Alpha virt. eigenvalues --    0.18806   0.19779   0.20026   0.20424   0.20988
 Alpha virt. eigenvalues --    0.21505   0.22574   0.22818   0.22939   0.24783
 Alpha virt. eigenvalues --    0.25089   0.25687   0.25729   0.27200   0.27808
 Alpha virt. eigenvalues --    0.28807   0.29414   0.29622   0.30020   0.30322
 Alpha virt. eigenvalues --    0.30698   0.31745   0.32240   0.32430   0.32902
 Alpha virt. eigenvalues --    0.33357   0.33921   0.34203   0.34933   0.35820
 Alpha virt. eigenvalues --    0.36215   0.36933   0.37609   0.39001   0.39620
 Alpha virt. eigenvalues --    0.40010   0.40236   0.40525   0.41576   0.43194
 Alpha virt. eigenvalues --    0.44075   0.44465   0.45275   0.45849   0.46488
 Alpha virt. eigenvalues --    0.47960   0.48903   0.49202   0.50152   0.51195
 Alpha virt. eigenvalues --    0.51529   0.52099   0.52409   0.52637   0.53380
 Alpha virt. eigenvalues --    0.54663   0.55125   0.55507   0.56611   0.57612
 Alpha virt. eigenvalues --    0.58165   0.59456   0.59874   0.60259   0.60883
 Alpha virt. eigenvalues --    0.61974   0.62285   0.62945   0.63340   0.63717
 Alpha virt. eigenvalues --    0.64187   0.64788   0.65658   0.66061   0.67405
 Alpha virt. eigenvalues --    0.67703   0.68658   0.69273   0.69357   0.69978
 Alpha virt. eigenvalues --    0.71183   0.71523   0.72214   0.73199   0.73800
 Alpha virt. eigenvalues --    0.74162   0.74758   0.75659   0.76211   0.76888
 Alpha virt. eigenvalues --    0.77449   0.78204   0.79331   0.81554   0.82541
 Alpha virt. eigenvalues --    0.83834   0.84643   0.85247   0.85491   0.85887
 Alpha virt. eigenvalues --    0.86410   0.87284   0.88055   0.88621   0.89424
 Alpha virt. eigenvalues --    0.89917   0.90224   0.91926   0.92512   0.94719
 Alpha virt. eigenvalues --    0.95488   0.97272   0.97931   0.98660   1.01490
 Alpha virt. eigenvalues --    1.02387   1.03063   1.05438   1.05511   1.07877
 Alpha virt. eigenvalues --    1.08483   1.08782   1.10310   1.12889   1.14474
 Alpha virt. eigenvalues --    1.14914   1.18504   1.20662   1.22944   1.24415
 Alpha virt. eigenvalues --    1.27230   1.28359   1.32999   1.37333   1.38063
 Alpha virt. eigenvalues --    1.39378   1.40091   1.43326   1.44510   1.45313
 Alpha virt. eigenvalues --    1.45946   1.46509   1.47249   1.48570   1.50336
 Alpha virt. eigenvalues --    1.51000   1.51703   1.53082   1.54335   1.56394
 Alpha virt. eigenvalues --    1.57668   1.58199   1.58642   1.60696   1.61011
 Alpha virt. eigenvalues --    1.62700   1.65584   1.66635   1.68066   1.70084
 Alpha virt. eigenvalues --    1.71038   1.73471   1.74337   1.75404   1.76749
 Alpha virt. eigenvalues --    1.77051   1.78803   1.80142   1.80957   1.81547
 Alpha virt. eigenvalues --    1.82939   1.84249   1.86493   1.88385   1.89817
 Alpha virt. eigenvalues --    1.90765   1.92726   1.93380   1.94896   1.95179
 Alpha virt. eigenvalues --    1.96798   1.97171   1.99721   2.01212   2.03844
 Alpha virt. eigenvalues --    2.04964   2.06401   2.08256   2.08777   2.08937
 Alpha virt. eigenvalues --    2.12083   2.13496   2.14868   2.16243   2.17130
 Alpha virt. eigenvalues --    2.18428   2.19025   2.21029   2.22564   2.23496
 Alpha virt. eigenvalues --    2.24943   2.26707   2.28123   2.31195   2.33802
 Alpha virt. eigenvalues --    2.36067   2.39024   2.40533   2.41018   2.43309
 Alpha virt. eigenvalues --    2.46966   2.47985   2.49750   2.55540   2.57091
 Alpha virt. eigenvalues --    2.57191   2.59879   2.61184   2.62850   2.65183
 Alpha virt. eigenvalues --    2.68039   2.70428   2.71249   2.76781   2.78537
 Alpha virt. eigenvalues --    2.82558   2.83181   2.84915   2.90119   2.95431
 Alpha virt. eigenvalues --    2.96891   3.01838   3.08291   3.09455   3.13255
 Alpha virt. eigenvalues --    3.15532   3.18355   3.32019   3.48635   3.50852
 Alpha virt. eigenvalues --    3.63934   3.82612   4.64210
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.543918  -6.230337   4.002464  -5.088544   5.059021  -5.168883
     2  C   -6.230337  21.132482  -9.204976   3.017614  -5.759550   4.833873
     3  C    4.002464  -9.204976  18.604729  -8.318119   5.064264  -5.030580
     4  C   -5.088544   3.017614  -8.318119  20.284959  -6.796131   4.622385
     5  C    5.059021  -5.759550   5.064264  -6.796131  14.282498  -5.366548
     6  C   -5.168883   4.833873  -5.030580   4.622385  -5.366548  11.967809
     7  C   -0.240390  -0.031600  -3.102673  -0.356485  -1.012664   0.378378
     8  N    0.040961  -0.344875   0.492927  -0.153257   0.154023  -0.069997
     9  C    0.235039  -0.630645   0.586238  -0.645086   0.421871  -0.209653
    10  H    0.033556  -0.009452   0.075797  -0.046842   0.007390  -0.015971
    11  H   -0.111276  -0.005915   0.594991   0.054292  -0.030203   0.042046
    12  H   -0.024177   0.037533  -0.292873   0.074127  -0.017050   0.007308
    13  H    0.014693  -0.117458   0.372360  -0.024451   0.026881  -0.011197
    14  H    0.024346   0.036429   0.029015  -0.144853   0.027592  -0.014876
    15  H    0.161087  -0.291731   0.596396  -2.295193   0.736451  -0.216403
    16  H   -0.360894   0.221286  -0.407809   1.087107  -1.573420   0.637874
    17  H    0.629265  -0.226002   0.153047  -0.186111   0.678252  -1.363798
    18  H   -1.435940   0.891419  -0.326151   0.198365  -0.332631   0.625840
    19  H    0.631452  -2.303258   0.910070  -0.151138   0.176498  -0.267031
    20  H   -0.001402   0.059399  -0.169124   0.055755  -0.034303   0.004639
               7          8          9         10         11         12
     1  C   -0.240390   0.040961   0.235039   0.033556  -0.111276  -0.024177
     2  C   -0.031600  -0.344875  -0.630645  -0.009452  -0.005915   0.037533
     3  C   -3.102673   0.492927   0.586238   0.075797   0.594991  -0.292873
     4  C   -0.356485  -0.153257  -0.645086  -0.046842   0.054292   0.074127
     5  C   -1.012664   0.154023   0.421871   0.007390  -0.030203  -0.017050
     6  C    0.378378  -0.069997  -0.209653  -0.015971   0.042046   0.007308
     7  C   12.699346  -0.817428  -0.287048  -0.066478  -1.571302   0.096648
     8  N   -0.817428   6.943682   0.112007   0.285986   0.173697   0.071312
     9  C   -0.287048   0.112007   4.657041  -0.003429   0.177124   0.144702
    10  H   -0.066478   0.285986  -0.003429   0.923710  -0.037816  -0.007580
    11  H   -1.571302   0.173697   0.177124  -0.037816   2.366454  -0.037111
    12  H    0.096648   0.071312   0.144702  -0.007580  -0.037111   1.680252
    13  H   -0.056858  -0.030422   0.096848   0.010345  -0.021963  -0.276735
    14  H   -0.104849  -0.023673   0.414941   0.002533   0.088615  -0.263177
    15  H    0.239739  -0.051903   0.057143  -0.001655  -0.004983  -0.001973
    16  H    0.038889  -0.002277  -0.002696  -0.000743   0.003015  -0.001795
    17  H   -0.013374  -0.000595  -0.001510  -0.000111   0.000561   0.000206
    18  H    0.027658   0.000081  -0.000132   0.000406   0.003745  -0.002623
    19  H    0.156672   0.003910   0.075860   0.007328  -0.128172   0.000329
    20  H    0.061549   0.311211  -0.048530  -0.124073   0.052078   0.012759
              13         14         15         16         17         18
     1  C    0.014693   0.024346   0.161087  -0.360894   0.629265  -1.435940
     2  C   -0.117458   0.036429  -0.291731   0.221286  -0.226002   0.891419
     3  C    0.372360   0.029015   0.596396  -0.407809   0.153047  -0.326151
     4  C   -0.024451  -0.144853  -2.295193   1.087107  -0.186111   0.198365
     5  C    0.026881   0.027592   0.736451  -1.573420   0.678252  -0.332631
     6  C   -0.011197  -0.014876  -0.216403   0.637874  -1.363798   0.625840
     7  C   -0.056858  -0.104849   0.239739   0.038889  -0.013374   0.027658
     8  N   -0.030422  -0.023673  -0.051903  -0.002277  -0.000595   0.000081
     9  C    0.096848   0.414941   0.057143  -0.002696  -0.001510  -0.000132
    10  H    0.010345   0.002533  -0.001655  -0.000743  -0.000111   0.000406
    11  H   -0.021963   0.088615  -0.004983   0.003015   0.000561   0.003745
    12  H   -0.276735  -0.263177  -0.001973  -0.001795   0.000206  -0.002623
    13  H    1.554739  -0.348746   0.013055   0.000104  -0.000141   0.000983
    14  H   -0.348746   1.522267  -0.058692   0.004002  -0.000049  -0.000117
    15  H    0.013055  -0.058692   3.381626  -0.197657  -0.025194   0.017055
    16  H    0.000104   0.004002  -0.197657   2.322319  -0.110830  -0.027934
    17  H   -0.000141  -0.000049  -0.025194  -0.110830   2.218710  -0.108230
    18  H    0.000983  -0.000117   0.017055  -0.027934  -0.108230   2.257312
    19  H   -0.002664   0.008021  -0.048747   0.016414  -0.024092  -0.167178
    20  H   -0.030302   0.025618  -0.049269  -0.001990   0.000398  -0.000238
              19         20
     1  C    0.631452  -0.001402
     2  C   -2.303258   0.059399
     3  C    0.910070  -0.169124
     4  C   -0.151138   0.055755
     5  C    0.176498  -0.034303
     6  C   -0.267031   0.004639
     7  C    0.156672   0.061549
     8  N    0.003910   0.311211
     9  C    0.075860  -0.048530
    10  H    0.007328  -0.124073
    11  H   -0.128172   0.052078
    12  H    0.000329   0.012759
    13  H   -0.002664  -0.030302
    14  H    0.008021   0.025618
    15  H   -0.048747  -0.049269
    16  H    0.016414  -0.001990
    17  H   -0.024092   0.000398
    18  H   -0.167178  -0.000238
    19  H    2.986062   0.000016
    20  H    0.000016   0.929757
 Mulliken charges:
               1
     1  C    0.286042
     2  C    0.925764
     3  C    1.370007
     4  C    0.811606
     5  C    0.287758
     6  C    0.614785
     7  C   -0.037731
     8  N   -0.095370
     9  C    0.849917
    10  H   -0.032900
    11  H   -0.607876
    12  H   -0.200081
    13  H   -0.169071
    14  H   -0.224346
    15  H   -0.959152
    16  H   -0.642963
    17  H   -0.620402
    18  H   -0.621691
    19  H   -0.880351
    20  H   -0.053946
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.335649
     2  C    0.045413
     3  C    1.370007
     4  C   -0.147546
     5  C   -0.355205
     6  C   -0.005617
     7  C   -0.645607
     8  N   -0.182215
     9  C    0.256419
 Electronic spatial extent (au):  <R**2>=           1292.4956
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9632    Y=              0.3421    Z=              0.1487  Tot=              1.0329
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.9264   YY=            -49.6517   ZZ=            -57.4021
   XY=             -0.9092   XZ=             -1.9211   YZ=              0.2463
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.9330   YY=              5.3417   ZZ=             -2.4087
   XY=             -0.9092   XZ=             -1.9211   YZ=              0.2463
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             33.9840  YYY=              3.1603  ZZZ=             -7.1882  XYY=             -1.8892
  XXY=              1.6206  XXZ=             10.5825  XZZ=             -7.1044  YZZ=              0.5575
  YYZ=             -1.6727  XYZ=              2.4435
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1257.6535 YYYY=           -319.6019 ZZZZ=           -206.0648 XXXY=             -1.5877
 XXXZ=            -36.0404 YYYX=             -7.9141 YYYZ=              3.5477 ZZZX=             10.4315
 ZZZY=             -5.8176 XXYY=           -238.1992 XXZZ=           -265.3356 YYZZ=            -98.2837
 XXYZ=              0.7574 YYXZ=              5.0040 ZZXY=             -1.9212
 N-N= 4.251216061477D+02 E-N=-1.699284959271D+03  KE= 3.638972946607D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:01:08 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.60881632D-01 1.47142918D-01 2.89654388D-02
 Polarizability= 1.25905636D+02-5.33705862D-01 1.01147794D+02
                 4.22351598D-01 2.65996868D+00 7.09134516D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4728   -0.4737       -0.1400   -0.1426
 2      0.4728    0.4737       -1.2742   -1.2742      -13.9798  -13.9812
 3      0.1400    0.1426       28.8655   28.8667        1.2749    1.2742
 4      1.2742    1.2742       -0.0000    0.0000        0.1411    0.1426
 5    -14.8856  -14.8855       -0.1411   -0.1426       -0.4701   -0.4737
 6     -1.2749   -1.2742        0.4701    0.4737        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.4212    1.4212       -0.4278   -0.4278
 2      3.8226    3.8226        0.0000    0.0000       -0.4278   -0.4278
 3      3.8226    3.8226        1.4212    1.4212        0.0000    0.0000
 4      1.4212    1.4212       -3.8226   -3.8226      -41.9435  -41.9435
 5      0.4278    0.4278       86.6000   86.6000        3.8226    3.8226
 6    -44.6565  -44.6565       -0.4278   -0.4278       -1.4212   -1.4212
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1264    0.0000        2.0634    1.8949        0.3906    0.5704
 2     -1.6924   -1.8949        5.0749    5.0968       56.2642   55.9247
 3     -0.4601   -0.5704     -115.7512 -115.4666       -4.9398   -5.0968
 4     -5.1142   -5.0968       -0.0363    0.0000       -0.7129   -0.5704
 5     59.4799   59.5419        0.5061    0.5704        1.8701    1.8949
 6      4.8550    5.0968       -1.7981   -1.8949       -0.0352    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1459    0.0000       -3.3658   -3.3887       -3.7127   -3.3553
 2      3.1173    3.3887      -52.6266  -52.9065      -17.6399  -17.4294
 3      2.9206    3.3553      -14.7542  -14.4913       53.1821   52.9065
 4     52.8787   52.9065       -0.0359    0.0000        3.4223    3.3553
 5     31.4224   31.9207       -3.4065   -3.3553       -3.0108   -3.3887
 6    -52.9954  -52.9065        3.4318    3.3887        0.1813    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     41.8085   41.7923       -2.7819   -2.7245        3.1836    3.3512
 2    118.4474  118.3709       -1.7667   -1.4136        3.3933    3.3512
 3    118.3720  118.3709       -3.0221   -2.7245        4.9032    4.7769
 4     -1.4239   -1.3110      -76.4488  -76.5786      -21.9995  -21.9426
 5      1.1452    1.4257      -21.6463  -21.8888       76.4713   76.5786
 6     43.1668   43.8314       -1.1208   -1.4257        1.8323    1.3110
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4011   -3.6436   -0.0004    0.0004    0.0006    4.6940
 Low frequencies ---   24.7633  128.1845  212.2268
 Diagonal vibrational polarizability:
       15.5144911       8.8457676      21.4622711
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.7532               128.1837               212.2268
 Red. masses --      3.0053                 3.3459                 2.2565
 Frc consts  --      0.0011                 0.0324                 0.0599
 IR Inten    --      0.2393                 0.0500                 0.6238
 RamAct Fr= 1--      3.8051                 4.0302                 0.5427
  Dep-P Fr= 1--      0.7457                 0.7473                 0.2529
  Dep-U Fr= 1--      0.8543                 0.8554                 0.4036
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0064
 Beta2  Fr= 1--      0.5418                 0.5745                 0.0365
 AlphaG Fr= 1--      0.0009                 0.0004                -0.0016
 Gamma2 Fr= 1--     -0.4813                 0.0248                -0.0830
 Delta2 Fr= 1--     -0.4496                -0.1112                -0.0444
 Raman1 Fr= 1--      15.220                 16.121                  2.171
 ROA1   Fr= 1--     -60.590                 -1.178                 -9.392
 CID1   Fr= 1--      -3.981                 -0.073                 -4.327
 Raman2 Fr= 1--       6.502                  6.895                  0.438
 ROA2   Fr= 1--      -7.953                  1.484                 -1.637
 CID2   Fr= 1--      -1.223                  0.215                 -3.738
 Raman3 Fr= 1--      13.003                 13.789                  0.876
 ROA3   Fr= 1--     -60.590                 -1.178                 -9.392
 CID3   Fr= 1--      -4.660                 -0.085                -10.720
 RC180  Fr= 1--       0.709                  0.711                 -0.193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.16    -0.01  -0.01   0.04     0.04   0.03   0.00
     2   6     0.01   0.01  -0.10    -0.00   0.02  -0.15     0.05  -0.09  -0.01
     3   6    -0.00  -0.02   0.06    -0.00   0.02  -0.17    -0.01  -0.13  -0.02
     4   6    -0.01  -0.03   0.17    -0.00   0.01  -0.10    -0.10  -0.10  -0.02
     5   6    -0.01  -0.01   0.12    -0.01  -0.01   0.10    -0.13   0.01  -0.00
     6   6     0.00   0.01  -0.05    -0.01  -0.03   0.20    -0.05   0.06   0.01
     7   6    -0.00  -0.02   0.07    -0.00   0.00  -0.04    -0.01  -0.03  -0.01
     8   7     0.05  -0.16  -0.09    -0.17  -0.08   0.02     0.09   0.09   0.01
     9   6    -0.05   0.20   0.00     0.21   0.09   0.05     0.08   0.10   0.02
    10   1     0.06  -0.36  -0.07    -0.34  -0.17  -0.06     0.15   0.14   0.04
    11   1    -0.00  -0.05   0.22    -0.02  -0.02   0.06    -0.16  -0.01  -0.00
    12   1    -0.08   0.33   0.12     0.37   0.18   0.03    -0.17  -0.16  -0.04
    13   1    -0.05   0.19  -0.00     0.21   0.03   0.26    -0.01   0.54   0.01
    14   1    -0.07   0.25  -0.15     0.21   0.12  -0.06     0.51   0.02   0.11
    15   1    -0.02  -0.04   0.31    -0.00   0.01  -0.13    -0.16  -0.15  -0.03
    16   1    -0.02  -0.02   0.21    -0.01  -0.03   0.20    -0.20   0.04   0.00
    17   1     0.00   0.02  -0.09    -0.02  -0.05   0.39    -0.07   0.14   0.03
    18   1     0.02   0.04  -0.29    -0.01  -0.01   0.09     0.11   0.08   0.02
    19   1     0.01   0.02  -0.19    -0.00   0.02  -0.22     0.12  -0.12  -0.01
    20   1     0.12  -0.12  -0.27    -0.11  -0.05  -0.07     0.15   0.07   0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    249.2262               265.1189               315.4935
 Red. masses --      1.1827                 1.1420                 2.9878
 Frc consts  --      0.0433                 0.0473                 0.1752
 IR Inten    --     25.7132                12.8287                 1.9843
 RamAct Fr= 1--      0.5051                 0.2306                 1.4796
  Dep-P Fr= 1--      0.3782                 0.6944                 0.2390
  Dep-U Fr= 1--      0.5488                 0.8197                 0.3858
 Alpha2 Fr= 1--      0.0040                 0.0002                 0.0181
 Beta2  Fr= 1--      0.0462                 0.0315                 0.0951
 AlphaG Fr= 1--     -0.0013                 0.0014                -0.0073
 Gamma2 Fr= 1--     -0.2550                 0.0899                -0.8844
 Delta2 Fr= 1--      0.2207                 0.2036                -0.2652
 Raman1 Fr= 1--       2.020                  0.923                  5.918
 ROA1   Fr= 1--     -17.423                 15.152                -93.389
 CID1   Fr= 1--      -8.623                 16.423                -15.780
 Raman2 Fr= 1--       0.554                  0.378                  1.142
 ROA2   Fr= 1--      -7.886                  0.530                -19.104
 CID2   Fr= 1--     -14.224                  1.401                -16.734
 Raman3 Fr= 1--       1.109                  0.756                  2.283
 ROA3   Fr= 1--     -17.423                 15.152                -93.389
 CID3   Fr= 1--     -15.712                 20.036                -40.901
 RC180  Fr= 1--       0.098                  0.639                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02  -0.00  -0.01    -0.09  -0.03   0.03
     2   6     0.00  -0.02   0.02     0.02  -0.03  -0.01    -0.09   0.01   0.13
     3   6    -0.01  -0.03  -0.00     0.00  -0.04  -0.01    -0.03   0.05   0.02
     4   6    -0.03  -0.03   0.01    -0.02  -0.03  -0.01    -0.04   0.04   0.14
     5   6    -0.03   0.00  -0.01    -0.03  -0.01   0.00    -0.04   0.00   0.04
     6   6    -0.02   0.02  -0.02    -0.01   0.01   0.01    -0.08  -0.01  -0.13
     7   6    -0.01   0.01  -0.01     0.01  -0.02  -0.00     0.03   0.01  -0.09
     8   7     0.03   0.08   0.01     0.03   0.03   0.02     0.04  -0.03  -0.13
     9   6     0.02  -0.02   0.01    -0.01   0.05  -0.02     0.24  -0.03  -0.00
    10   1    -0.28  -0.38  -0.11     0.24   0.38   0.10     0.21   0.15  -0.05
    11   1    -0.06   0.03  -0.06    -0.02  -0.02   0.02     0.06   0.01  -0.08
    12   1     0.26   0.19   0.04     0.25   0.39   0.11     0.46  -0.03  -0.14
    13   1     0.08  -0.31   0.12     0.07  -0.33   0.10     0.24  -0.07   0.27
    14   1    -0.24   0.04  -0.12    -0.36   0.17  -0.28     0.30  -0.04   0.01
    15   1    -0.04  -0.04   0.03    -0.05  -0.05  -0.04    -0.04   0.03   0.22
    16   1    -0.05   0.01  -0.01    -0.05   0.00   0.00     0.01  -0.02   0.06
    17   1    -0.02   0.03  -0.03    -0.01   0.03   0.02    -0.07  -0.02  -0.30
    18   1     0.02   0.02   0.02     0.04   0.02  -0.01    -0.11  -0.04   0.04
    19   1     0.02  -0.03   0.03     0.04  -0.04  -0.02    -0.15   0.02   0.20
    20   1     0.60   0.15  -0.25    -0.31  -0.04   0.27    -0.23  -0.05  -0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    337.8994               412.9074               488.7767
 Red. masses --      3.4873                 2.9362                 3.0072
 Frc consts  --      0.2346                 0.2949                 0.4233
 IR Inten    --      3.2831                 0.2793                 3.0794
 RamAct Fr= 1--      1.5758                 0.0213                 4.3474
  Dep-P Fr= 1--      0.2521                 0.5030                 0.0617
  Dep-U Fr= 1--      0.4027                 0.6694                 0.1162
 Alpha2 Fr= 1--      0.0186                 0.0001                 0.0835
 Beta2  Fr= 1--      0.1058                 0.0024                 0.0842
 AlphaG Fr= 1--      0.0067                -0.0021                -0.0161
 Gamma2 Fr= 1--      0.8697                -0.2056                -0.2388
 Delta2 Fr= 1--      0.1776                -0.0194                -0.2243
 Raman1 Fr= 1--       6.303                  0.085                 17.390
 ROA1   Fr= 1--      89.175                -20.355                -30.102
 CID1   Fr= 1--      14.147               -238.614                 -1.731
 Raman2 Fr= 1--       1.269                  0.029                  1.011
 ROA2   Fr= 1--      19.452                 -4.778                 -3.937
 CID2   Fr= 1--      15.326               -167.362                 -3.896
 Raman3 Fr= 1--       2.538                  0.057                  2.021
 ROA3   Fr= 1--      89.175                -20.355                -30.102
 CID3   Fr= 1--      35.129               -356.477                -14.892
 RC180  Fr= 1--      -0.195                  0.339                 -0.768
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.05     0.01   0.02  -0.20    -0.08  -0.05   0.00
     2   6    -0.10   0.04  -0.12    -0.01  -0.02   0.21    -0.05   0.01   0.00
     3   6    -0.03   0.06   0.03    -0.00   0.00  -0.00     0.05   0.06  -0.02
     4   6    -0.04   0.09  -0.13     0.01   0.02  -0.21    -0.03   0.10   0.01
     5   6    -0.04   0.02  -0.05    -0.00  -0.03   0.21    -0.04   0.03   0.02
     6   6    -0.10  -0.04   0.12     0.00   0.00  -0.00    -0.11  -0.03  -0.03
     7   6     0.04  -0.00   0.12    -0.00   0.00  -0.00     0.17  -0.12  -0.02
     8   7     0.26  -0.04  -0.05     0.00   0.00  -0.00     0.05  -0.03   0.21
     9   6     0.02  -0.07   0.12    -0.00  -0.00   0.00     0.04   0.03  -0.18
    10   1     0.55  -0.06   0.10    -0.02  -0.03  -0.01    -0.26  -0.02   0.05
    11   1     0.07  -0.01   0.14    -0.01   0.00  -0.00     0.24  -0.12  -0.06
    12   1     0.08  -0.10   0.07    -0.00  -0.01  -0.00    -0.21   0.16   0.07
    13   1     0.03  -0.17   0.13    -0.00  -0.00   0.00     0.02   0.18  -0.41
    14   1    -0.06  -0.09   0.20     0.01  -0.01   0.01     0.09   0.09  -0.40
    15   1    -0.03   0.10  -0.22     0.02   0.05  -0.45    -0.05   0.08   0.03
    16   1     0.02   0.00  -0.08    -0.01  -0.05   0.44     0.05  -0.01   0.04
    17   1    -0.10  -0.10   0.29     0.00   0.00  -0.02    -0.11  -0.05  -0.05
    18   1    -0.12  -0.02  -0.08     0.01   0.05  -0.46    -0.07  -0.04   0.03
    19   1    -0.16   0.08  -0.20    -0.01  -0.05   0.45    -0.16   0.05   0.03
    20   1     0.22  -0.03  -0.08     0.01   0.01  -0.02     0.27  -0.06   0.30
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.0679               598.3501               638.6372
 Red. masses --      2.8614                 3.0079                 6.3589
 Frc consts  --      0.5120                 0.6345                 1.5281
 IR Inten    --     20.9867                 8.0942                 0.0177
 RamAct Fr= 1--      0.2376                 1.4604                 4.3935
  Dep-P Fr= 1--      0.4566                 0.7277                 0.7307
  Dep-U Fr= 1--      0.6269                 0.8424                 0.8444
 Alpha2 Fr= 1--      0.0014                 0.0006                 0.0015
 Beta2  Fr= 1--      0.0248                 0.2050                 0.6183
 AlphaG Fr= 1--      0.0028                -0.0015                -0.0024
 Gamma2 Fr= 1--      0.0402                 0.4511                 0.0022
 Delta2 Fr= 1--     -0.0082                 0.2184                -0.0100
 Raman1 Fr= 1--       0.951                  5.842                 17.574
 ROA1   Fr= 1--       3.595                 50.293                 -0.105
 CID1   Fr= 1--       3.782                  8.610                 -0.006
 Raman2 Fr= 1--       0.298                  2.461                  7.420
 ROA2   Fr= 1--       1.030                  9.079                  0.134
 CID2   Fr= 1--       3.458                  3.690                  0.018
 Raman3 Fr= 1--       0.596                  4.921                 14.839
 ROA3   Fr= 1--       3.595                 50.293                 -0.105
 CID3   Fr= 1--       6.032                 10.220                 -0.007
 RC180  Fr= 1--       0.254                  0.685                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.13     0.01  -0.09  -0.02     0.29  -0.21  -0.02
     2   6    -0.00   0.01   0.06     0.04  -0.17  -0.01     0.21   0.22   0.03
     3   6    -0.01  -0.03   0.26     0.16  -0.03   0.03    -0.00   0.13   0.02
     4   6    -0.00  -0.00   0.06    -0.01   0.01   0.01    -0.27   0.17   0.01
     5   6     0.01   0.01  -0.13    -0.06   0.08  -0.01    -0.22  -0.26  -0.04
     6   6     0.00  -0.02   0.19    -0.16   0.00   0.02     0.00  -0.14  -0.02
     7   6    -0.01  -0.03  -0.06     0.16   0.23   0.04     0.01   0.04   0.01
     8   7    -0.06   0.02  -0.01    -0.04  -0.01  -0.02    -0.01   0.02  -0.02
     9   6     0.07   0.00  -0.08    -0.00   0.01   0.01    -0.01   0.01   0.03
    10   1    -0.19   0.02  -0.08    -0.22  -0.09  -0.10    -0.02   0.00  -0.02
    11   1     0.03  -0.01  -0.14     0.14   0.21   0.10     0.04   0.03   0.01
    12   1     0.15   0.05  -0.09    -0.08  -0.15  -0.07    -0.00  -0.02   0.00
    13   1     0.05   0.06   0.08     0.05  -0.17  -0.28    -0.00  -0.01   0.01
    14   1     0.18   0.02  -0.18    -0.25  -0.06   0.32    -0.03  -0.00   0.08
    15   1     0.02   0.04  -0.26    -0.18  -0.12  -0.05    -0.15   0.26   0.03
    16   1     0.02   0.05  -0.49     0.01   0.06  -0.05    -0.06  -0.33  -0.03
    17   1     0.00  -0.03   0.20    -0.16   0.02   0.00    -0.06   0.29   0.04
    18   1     0.00   0.05  -0.49     0.17   0.04  -0.06     0.18  -0.30  -0.02
    19   1     0.01   0.04  -0.24    -0.04  -0.13  -0.04     0.05   0.28   0.04
    20   1    -0.05   0.01   0.01    -0.41   0.04  -0.24    -0.04   0.03  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.2166               764.0481               778.7930
 Red. masses --      1.6891                 3.4832                 1.9567
 Frc consts  --      0.5048                 1.1980                 0.6992
 IR Inten    --     50.6057                25.9129                20.2511
 RamAct Fr= 1--      0.0293                11.1361                 1.4053
  Dep-P Fr= 1--      0.6043                 0.0179                 0.5302
  Dep-U Fr= 1--      0.7533                 0.0351                 0.6930
 Alpha2 Fr= 1--      0.0001                 0.2373                 0.0060
 Beta2  Fr= 1--      0.0037                 0.0651                 0.1623
 AlphaG Fr= 1--     -0.0001                -0.0177                -0.0099
 Gamma2 Fr= 1--     -0.0018                 0.4569                -0.0030
 Delta2 Fr= 1--     -0.0037                -0.0569                 0.0178
 Raman1 Fr= 1--       0.117                 44.545                  5.621
 ROA1   Fr= 1--      -0.293                 42.047                  0.284
 CID1   Fr= 1--      -2.503                  0.944                  0.051
 Raman2 Fr= 1--       0.044                  0.781                  1.948
 ROA2   Fr= 1--      -0.014                 11.422                 -0.214
 CID2   Fr= 1--      -0.324                 14.620                 -0.110
 Raman3 Fr= 1--       0.088                  1.562                  3.895
 ROA3   Fr= 1--      -0.293                 42.047                  0.284
 CID3   Fr= 1--      -3.323                 26.911                  0.073
 RC180  Fr= 1--       0.507                 -0.930                  0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.14     0.08  -0.15  -0.01    -0.01   0.01   0.01
     2   6    -0.00  -0.01   0.07     0.08  -0.12  -0.03    -0.00   0.02  -0.08
     3   6     0.00   0.01  -0.09     0.10   0.01   0.05    -0.01  -0.03   0.22
     4   6    -0.00  -0.01   0.06     0.04   0.18  -0.01    -0.00  -0.01  -0.09
     5   6     0.00   0.02  -0.14     0.07   0.18   0.03    -0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.07    -0.16  -0.02  -0.03     0.02   0.02  -0.13
     7   6     0.00  -0.00   0.00    -0.12  -0.15  -0.03     0.00   0.02   0.00
     8   7    -0.00  -0.00  -0.00    -0.08   0.04  -0.08     0.01   0.00   0.01
     9   6     0.00   0.00   0.00    -0.07  -0.02   0.08     0.02  -0.01  -0.05
    10   1     0.05   0.03   0.02     0.21   0.15   0.05    -0.14  -0.04  -0.06
    11   1    -0.01  -0.00   0.02    -0.08  -0.12  -0.14     0.03   0.03  -0.04
    12   1    -0.02  -0.01   0.00     0.04   0.12   0.13     0.09  -0.01  -0.09
    13   1     0.00  -0.01  -0.03    -0.12   0.16   0.41     0.02   0.00   0.03
    14   1    -0.03  -0.00   0.02     0.18   0.03  -0.18     0.07  -0.01  -0.05
    15   1    -0.02  -0.06   0.51    -0.03   0.12   0.03    -0.00  -0.02   0.00
    16   1    -0.01  -0.03   0.22     0.30   0.08   0.12    -0.05  -0.06   0.50
    17   1    -0.02  -0.07   0.56    -0.15  -0.06   0.09    -0.00  -0.06   0.56
    18   1    -0.01  -0.03   0.21     0.25  -0.02   0.11    -0.03  -0.06   0.52
    19   1    -0.02  -0.06   0.50    -0.04  -0.08  -0.00     0.00   0.00   0.01
    20   1     0.04  -0.00   0.02     0.33   0.01   0.10    -0.15   0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    852.3730               871.8380               916.5275
 Red. masses --      1.2717                 1.6578                 1.7408
 Frc consts  --      0.5444                 0.7424                 0.8616
 IR Inten    --     11.7229               181.8486                 1.1431
 RamAct Fr= 1--      2.6487                 5.3243                 4.2060
  Dep-P Fr= 1--      0.6014                 0.0946                 0.5282
  Dep-U Fr= 1--      0.7511                 0.1728                 0.6913
 Alpha2 Fr= 1--      0.0073                 0.0945                 0.0181
 Beta2  Fr= 1--      0.3316                 0.1534                 0.4846
 AlphaG Fr= 1--      0.0004                 0.0634                 0.0031
 Gamma2 Fr= 1--     -0.1726                -0.6631                 1.2594
 Delta2 Fr= 1--      0.1298                -0.1082                -0.4073
 Raman1 Fr= 1--      10.595                 21.297                 16.824
 ROA1   Fr= 1--     -12.417                -67.119                107.871
 CID1   Fr= 1--      -1.172                 -3.152                  6.412
 Raman2 Fr= 1--       3.979                  1.840                  5.815
 ROA2   Fr= 1--      -5.181                -15.049                 33.484
 CID2   Fr= 1--      -1.302                 -8.177                  5.758
 Raman3 Fr= 1--       7.958                  3.681                 11.630
 ROA3   Fr= 1--     -12.417                -67.119                107.871
 CID3   Fr= 1--      -1.560                -18.234                  9.275
 RC180  Fr= 1--       0.502                 -0.654                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.07     0.02  -0.02   0.02    -0.03   0.03  -0.00
     2   6    -0.00  -0.01   0.07     0.00  -0.01   0.02    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.02    -0.00   0.00  -0.04     0.02   0.01  -0.05
     4   6     0.00   0.00  -0.09     0.00   0.03  -0.00    -0.01  -0.03   0.07
     5   6    -0.00   0.00  -0.06     0.02   0.04  -0.03    -0.01  -0.03  -0.02
     6   6     0.00   0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.07
     7   6     0.01   0.01   0.01    -0.07  -0.01  -0.07     0.10  -0.06  -0.04
     8   7    -0.04  -0.00  -0.01     0.17  -0.01   0.07    -0.01   0.04  -0.06
     9   6     0.01   0.00  -0.01    -0.06   0.00   0.02    -0.02  -0.02   0.14
    10   1     0.12   0.04   0.06    -0.55  -0.16  -0.25    -0.16   0.07  -0.14
    11   1     0.02  -0.00   0.04    -0.09  -0.01  -0.09     0.14  -0.03  -0.15
    12   1    -0.01  -0.01  -0.00     0.11   0.01  -0.07    -0.23   0.14   0.39
    13   1     0.02  -0.01  -0.06    -0.09   0.06   0.30    -0.04   0.10  -0.03
    14   1    -0.03   0.00   0.01     0.10  -0.01  -0.01    -0.02   0.05  -0.10
    15   1    -0.01  -0.06   0.52    -0.02  -0.00   0.14     0.00   0.02  -0.39
    16   1    -0.03  -0.06   0.44     0.06  -0.00   0.16    -0.04  -0.03   0.07
    17   1     0.00   0.01  -0.01    -0.01  -0.01  -0.05    -0.00  -0.07   0.46
    18   1     0.01   0.06  -0.46     0.04   0.01  -0.16    -0.07   0.01  -0.01
    19   1     0.02   0.06  -0.49    -0.00   0.01  -0.10     0.01   0.07  -0.43
    20   1     0.13  -0.00   0.02    -0.56  -0.01  -0.06    -0.08   0.03  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.3685               957.6200               973.8325
 Red. masses --      1.6496                 1.3590                 1.2313
 Frc consts  --      0.8359                 0.7343                 0.6880
 IR Inten    --      1.5719                 0.4671                 0.1439
 RamAct Fr= 1--      2.6058                 0.1156                 0.0092
  Dep-P Fr= 1--      0.6288                 0.7130                 0.7287
  Dep-U Fr= 1--      0.7721                 0.8324                 0.8431
 Alpha2 Fr= 1--      0.0057                 0.0001                 0.0000
 Beta2  Fr= 1--      0.3353                 0.0160                 0.0013
 AlphaG Fr= 1--     -0.0080                -0.0030                -0.0007
 Gamma2 Fr= 1--     -1.8172                 0.0483                 0.1536
 Delta2 Fr= 1--      0.0897                -0.0407                -0.0532
 Raman1 Fr= 1--      10.423                  0.463                  0.037
 ROA1   Fr= 1--    -171.578                  3.335                 13.043
 CID1   Fr= 1--     -16.461                  7.210                353.351
 Raman2 Fr= 1--       4.024                  0.193                  0.016
 ROA2   Fr= 1--     -44.329                  1.485                  4.112
 CID2   Fr= 1--     -11.016                  7.713                264.283
 Raman3 Fr= 1--       8.048                  0.385                  0.031
 ROA3   Fr= 1--    -171.578                  3.335                 13.043
 CID3   Fr= 1--     -21.319                  8.662                419.132
 RC180  Fr= 1--       0.544                  0.665                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.01     0.00  -0.01   0.08     0.00   0.01  -0.08
     2   6     0.00  -0.03   0.08     0.00   0.01  -0.08    -0.00  -0.00   0.04
     3   6    -0.03   0.00  -0.07    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.01   0.08    -0.00  -0.01   0.09    -0.00  -0.00   0.03
     5   6     0.02   0.03   0.00     0.00   0.01  -0.10     0.00   0.01  -0.07
     6   6    -0.01   0.01  -0.07    -0.00  -0.00   0.00    -0.00  -0.01   0.08
     7   6    -0.09   0.04   0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     8   7     0.02  -0.05   0.07    -0.01   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.04  -0.09     0.01  -0.00  -0.01     0.00   0.00  -0.00
    10   1     0.18  -0.06   0.15     0.05  -0.01   0.03     0.02  -0.00   0.01
    11   1    -0.18   0.00   0.20    -0.01   0.01  -0.00    -0.01  -0.00   0.01
    12   1     0.17  -0.15  -0.35    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   1     0.04  -0.13  -0.02     0.01  -0.01  -0.02     0.00  -0.01  -0.01
    14   1    -0.05  -0.04   0.19     0.01  -0.00  -0.02    -0.01  -0.00   0.01
    15   1     0.03   0.08  -0.38     0.02   0.05  -0.49     0.01   0.03  -0.24
    16   1     0.05   0.02  -0.03    -0.02  -0.06   0.56    -0.02  -0.05   0.47
    17   1    -0.02  -0.04   0.45    -0.00   0.01  -0.03     0.02   0.06  -0.53
    18   1     0.06  -0.01  -0.01     0.02   0.05  -0.46    -0.02  -0.07   0.55
    19   1     0.02   0.03  -0.43    -0.02  -0.05   0.43     0.01   0.04  -0.33
    20   1     0.15  -0.05   0.08     0.03   0.01  -0.01     0.03  -0.00   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1010.5476              1023.9451              1041.0364
 Red. masses --      1.4134                 4.7221                 1.9037
 Frc consts  --      0.8504                 2.9170                 1.2156
 IR Inten    --      2.6104                 1.7153                30.6733
 RamAct Fr= 1--      4.1820                62.7068                 8.3466
  Dep-P Fr= 1--      0.5604                 0.0470                 0.1215
  Dep-U Fr= 1--      0.7183                 0.0898                 0.2167
 Alpha2 Fr= 1--      0.0151                 1.2474                 0.1386
 Beta2  Fr= 1--      0.5006                 0.9390                 0.3015
 AlphaG Fr= 1--     -0.0274                -0.0394                -0.0657
 Gamma2 Fr= 1--      1.0404                 0.7926                 0.8960
 Delta2 Fr= 1--     -0.1347                 0.2166                 1.3042
 Raman1 Fr= 1--      16.728                250.827                 33.386
 ROA1   Fr= 1--      95.564                 83.018                127.748
 CID1   Fr= 1--       5.713                  0.331                  3.826
 Raman2 Fr= 1--       6.008                 11.268                  3.618
 ROA2   Fr= 1--      26.046                 17.288                 11.069
 CID2   Fr= 1--       4.335                  1.534                  3.059
 Raman3 Fr= 1--      12.015                 22.537                  7.236
 ROA3   Fr= 1--      95.564                 83.018                127.748
 CID3   Fr= 1--       7.953                  3.684                 17.654
 RC180  Fr= 1--       0.437                 -0.820                 -0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.01   0.03   0.00    -0.04   0.07   0.01
     2   6     0.01   0.03  -0.01    -0.12  -0.29  -0.04    -0.02  -0.10  -0.01
     3   6     0.02  -0.01   0.03    -0.02  -0.03   0.02     0.07   0.05  -0.01
     4   6     0.01  -0.01  -0.01    -0.20   0.29   0.02    -0.00   0.02   0.01
     5   6    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00    -0.04  -0.13  -0.02
     6   6    -0.03  -0.01   0.00     0.31   0.03   0.01     0.02   0.03   0.00
     7   6     0.06  -0.06  -0.09     0.01  -0.06   0.00     0.05   0.09  -0.05
     8   7     0.00  -0.02  -0.03     0.01   0.03  -0.03    -0.02  -0.06   0.05
     9   6    -0.05   0.10   0.05     0.05   0.03   0.02    -0.12  -0.01  -0.01
    10   1    -0.29   0.29  -0.21    -0.17   0.06  -0.12     0.19   0.01   0.13
    11   1     0.03  -0.14   0.24    -0.20  -0.07   0.17     0.33   0.10  -0.25
    12   1     0.10  -0.18  -0.25    -0.11  -0.07   0.04     0.24   0.08  -0.14
    13   1     0.01  -0.17   0.10     0.09  -0.11  -0.28    -0.18   0.15   0.56
    14   1    -0.17  -0.02   0.49    -0.17   0.01   0.15     0.26  -0.03  -0.09
    15   1     0.02  -0.01  -0.00    -0.15   0.34   0.03     0.10   0.10  -0.01
    16   1     0.01  -0.03   0.02     0.06  -0.02   0.01    -0.05  -0.13  -0.02
    17   1    -0.02  -0.04  -0.03     0.33  -0.02  -0.00     0.00   0.14   0.02
    18   1    -0.04   0.02  -0.01    -0.01   0.02   0.00     0.08   0.17   0.02
    19   1     0.03   0.02   0.08    -0.06  -0.33  -0.01     0.00  -0.11  -0.02
    20   1     0.28  -0.12   0.37    -0.05   0.00   0.04     0.21  -0.05   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1056.8309              1106.9925              1139.3551
 Red. masses --      1.9794                 1.5828                 2.4610
 Frc consts  --      1.3025                 1.1428                 1.8822
 IR Inten    --      0.3809                 8.7004                 7.4261
 RamAct Fr= 1--     15.9069                 1.6880                 5.7580
  Dep-P Fr= 1--      0.0387                 0.0777                 0.7122
  Dep-U Fr= 1--      0.0745                 0.1442                 0.8319
 Alpha2 Fr= 1--      0.3228                 0.0312                 0.0038
 Beta2  Fr= 1--      0.1975                 0.0406                 0.7984
 AlphaG Fr= 1--      0.0442                 0.0109                 0.0267
 Gamma2 Fr= 1--     -0.5841                 0.1582                -2.3846
 Delta2 Fr= 1--     -0.4363                 0.1331                -0.5596
 Raman1 Fr= 1--      63.627                  6.752                 23.032
 ROA1   Fr= 1--     -70.034                 19.441               -246.824
 CID1   Fr= 1--      -1.101                  2.879                -10.717
 Raman2 Fr= 1--       2.370                  0.487                  9.580
 ROA2   Fr= 1--     -10.528                  2.731                -52.753
 CID2   Fr= 1--      -4.442                  5.609                 -5.506
 Raman3 Fr= 1--       4.740                  0.974                 19.161
 ROA3   Fr= 1--     -70.034                 19.441               -246.824
 CID3   Fr= 1--     -14.776                 19.965                -12.882
 RC180  Fr= 1--      -0.851                 -0.712                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.16   0.02     0.08  -0.05  -0.00    -0.01   0.00   0.00
     2   6     0.07  -0.03   0.00    -0.10  -0.05  -0.01    -0.02  -0.00   0.01
     3   6    -0.01  -0.02  -0.00    -0.06   0.04   0.01     0.07   0.02  -0.05
     4   6     0.03   0.07   0.01     0.11  -0.02  -0.00     0.03  -0.01   0.01
     5   6     0.02  -0.14  -0.02    -0.03  -0.05  -0.01    -0.03  -0.02  -0.00
     6   6    -0.14  -0.03  -0.01    -0.03   0.08   0.01     0.01   0.01  -0.00
     7   6    -0.04  -0.03   0.04    -0.02  -0.01  -0.02     0.05  -0.10   0.26
     8   7     0.01   0.03  -0.01     0.02  -0.00  -0.01    -0.02   0.10  -0.10
     9   6     0.05  -0.00  -0.01     0.03   0.00   0.02    -0.05  -0.03  -0.12
    10   1    -0.05  -0.05  -0.03    -0.09   0.04  -0.07    -0.28   0.09  -0.22
    11   1    -0.19  -0.03   0.10    -0.01  -0.03   0.04     0.07  -0.16   0.51
    12   1    -0.08  -0.02   0.04    -0.09  -0.01   0.08     0.27  -0.01  -0.28
    13   1     0.06  -0.05  -0.20     0.05  -0.03  -0.16    -0.07   0.00   0.29
    14   1    -0.07   0.01  -0.02    -0.08   0.02   0.01     0.28  -0.07  -0.14
    15   1     0.27   0.26   0.04     0.45   0.24   0.05     0.03  -0.01  -0.04
    16   1     0.39  -0.30  -0.02    -0.19   0.01  -0.00    -0.14   0.02  -0.01
    17   1    -0.15  -0.08  -0.02    -0.10   0.53   0.06     0.00   0.09   0.02
    18   1     0.21   0.36   0.05     0.31   0.11   0.03    -0.04  -0.02  -0.01
    19   1     0.40  -0.15  -0.01    -0.41   0.06   0.01    -0.17   0.07  -0.06
    20   1    -0.15   0.04  -0.08     0.01  -0.03   0.08    -0.14   0.09  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.4601              1205.1907              1213.7678
 Red. masses --      1.1162                 1.1708                 2.1272
 Frc consts  --      0.9226                 1.0020                 1.8464
 IR Inten    --      0.1795                 0.0201                 3.6702
 RamAct Fr= 1--      3.8377                 7.1915                15.1341
  Dep-P Fr= 1--      0.7456                 0.2082                 0.0908
  Dep-U Fr= 1--      0.8543                 0.3446                 0.1666
 Alpha2 Fr= 1--      0.0003                 0.0956                 0.2710
 Beta2  Fr= 1--      0.5464                 0.4130                 0.4201
 AlphaG Fr= 1--      0.0005                 0.0341                 0.0369
 Gamma2 Fr= 1--     -0.1250                -0.0124                 0.4858
 Delta2 Fr= 1--      0.0419                 0.0314                 0.2271
 Raman1 Fr= 1--      15.351                 28.766                 60.536
 ROA1   Fr= 1--     -10.663                 -0.191                 53.903
 CID1   Fr= 1--      -0.695                 -0.007                  0.890
 Raman2 Fr= 1--       6.557                  4.956                  5.041
 ROA2   Fr= 1--      -3.337                 -0.549                  9.841
 CID2   Fr= 1--      -0.509                 -0.111                  1.952
 Raman3 Fr= 1--      13.114                  9.913                 10.083
 ROA3   Fr= 1--     -10.663                 -0.191                 53.903
 CID3   Fr= 1--      -0.813                 -0.019                  5.346
 RC180  Fr= 1--       0.709                 -0.311                 -0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.00    -0.02  -0.04  -0.01    -0.07   0.03   0.00
     2   6     0.01  -0.01  -0.00     0.05  -0.03  -0.00     0.03   0.02   0.00
     3   6     0.01   0.00   0.00    -0.06  -0.00  -0.00     0.24  -0.01   0.01
     4   6    -0.00  -0.01  -0.00     0.03   0.03   0.00     0.07   0.04   0.01
     5   6     0.04  -0.02  -0.00    -0.03   0.04   0.00    -0.09  -0.05  -0.01
     6   6    -0.01   0.07   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     7   6    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.08  -0.08  -0.04
     8   7     0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.01   0.01   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.04   0.00
    10   1    -0.00  -0.00  -0.00    -0.05   0.04  -0.03     0.19  -0.18   0.15
    11   1    -0.01  -0.01   0.01     0.10   0.01   0.03    -0.45   0.00  -0.16
    12   1    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.07  -0.07  -0.03
    13   1     0.00  -0.00  -0.01    -0.01   0.02   0.01     0.04  -0.08  -0.05
    14   1    -0.01   0.00   0.00     0.04  -0.00  -0.04    -0.14   0.01   0.13
    15   1    -0.13  -0.10  -0.02     0.41   0.32   0.05     0.12   0.07   0.02
    16   1     0.43  -0.17  -0.01    -0.39   0.18   0.01    -0.45   0.08  -0.01
    17   1    -0.10   0.66   0.07    -0.01  -0.03  -0.00    -0.00   0.07   0.01
    18   1    -0.40  -0.31  -0.05    -0.31  -0.27  -0.04    -0.36  -0.18  -0.03
    19   1     0.16  -0.07  -0.00     0.54  -0.22  -0.01    -0.21   0.12   0.01
    20   1    -0.00   0.00   0.00     0.02  -0.02   0.04    -0.15   0.07  -0.19
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1267.1470              1309.0859              1354.1959
 Red. masses --      1.7513                 2.2104                 2.3234
 Frc consts  --      1.6568                 2.2319                 2.5104
 IR Inten    --     10.6710                 8.1742                 1.4248
 RamAct Fr= 1--     12.1868                 1.0236                 1.2144
  Dep-P Fr= 1--      0.0851                 0.7136                 0.5897
  Dep-U Fr= 1--      0.1568                 0.8329                 0.7419
 Alpha2 Fr= 1--      0.2213                 0.0006                 0.0036
 Beta2  Fr= 1--      0.3185                 0.1421                 0.1502
 AlphaG Fr= 1--     -0.1380                 0.0042                -0.0024
 Gamma2 Fr= 1--     -1.7414                 1.1901                 0.3567
 Delta2 Fr= 1--      0.1936                -0.2719                -0.5687
 Raman1 Fr= 1--      48.747                  4.094                  4.858
 ROA1   Fr= 1--    -160.981                105.548                 16.042
 CID1   Fr= 1--      -3.302                 25.779                  3.302
 Raman2 Fr= 1--       3.822                  1.705                  1.802
 ROA2   Fr= 1--     -43.342                 30.738                 13.110
 CID2   Fr= 1--     -11.341                 18.028                  7.275
 Raman3 Fr= 1--       7.644                  3.410                  3.604
 ROA3   Fr= 1--    -160.981                105.548                 16.042
 CID3   Fr= 1--     -21.061                 30.952                  4.451
 RC180  Fr= 1--      -0.686                  0.666                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.00    -0.08  -0.07  -0.01    -0.09  -0.06  -0.01
     2   6     0.04  -0.02  -0.00     0.06  -0.06  -0.00     0.17  -0.04  -0.00
     3   6     0.09   0.05   0.01     0.01   0.21   0.01    -0.03   0.04   0.01
     4   6    -0.00  -0.01   0.00    -0.03  -0.06  -0.01    -0.15  -0.09  -0.01
     5   6    -0.01  -0.03  -0.00     0.07  -0.06  -0.00     0.11  -0.03   0.00
     6   6     0.01   0.01   0.00    -0.00   0.07   0.01    -0.02   0.17   0.02
     7   6    -0.13   0.13  -0.02    -0.12  -0.08   0.03     0.06   0.00  -0.02
     8   7     0.04  -0.05  -0.03     0.02   0.04  -0.00    -0.00  -0.00   0.01
     9   6     0.05  -0.10   0.01     0.05   0.06  -0.00    -0.02  -0.01   0.01
    10   1    -0.24   0.22  -0.19    -0.00  -0.10   0.01     0.03  -0.01   0.02
    11   1    -0.09  -0.01   0.50     0.59  -0.12  -0.22    -0.35   0.03   0.10
    12   1    -0.09   0.10   0.24    -0.09  -0.13  -0.08     0.04   0.03   0.00
    13   1    -0.01   0.20  -0.13     0.08  -0.12  -0.12    -0.02  -0.02   0.01
    14   1    -0.00   0.01  -0.32    -0.15   0.03   0.14     0.09  -0.01  -0.03
    15   1    -0.14  -0.12  -0.03    -0.24  -0.22  -0.03     0.41   0.35   0.06
    16   1    -0.12   0.01  -0.01    -0.31   0.09  -0.00     0.13  -0.03   0.00
    17   1     0.01  -0.06  -0.01     0.01  -0.05  -0.01     0.05  -0.34  -0.04
    18   1    -0.05  -0.00  -0.00     0.20   0.14   0.02    -0.09  -0.06  -0.01
    19   1    -0.01   0.01   0.00     0.24  -0.14  -0.02    -0.49   0.22   0.02
    20   1     0.25  -0.16   0.39    -0.09   0.03  -0.03    -0.03   0.02  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1379.4214              1400.4956              1410.4182
 Red. masses --      1.4056                 1.2045                 1.2753
 Frc consts  --      1.5758                 1.3920                 1.4948
 IR Inten    --      3.0787                 3.2215                 7.9655
 RamAct Fr= 1--      3.7405                 2.4169                 2.3921
  Dep-P Fr= 1--      0.4304                 0.6315                 0.5961
  Dep-U Fr= 1--      0.6018                 0.7741                 0.7469
 Alpha2 Fr= 1--      0.0248                 0.0052                 0.0068
 Beta2  Fr= 1--      0.3752                 0.3118                 0.2978
 AlphaG Fr= 1--      0.0231                 0.0031                 0.0064
 Gamma2 Fr= 1--     -1.4073                 1.2611                 0.4636
 Delta2 Fr= 1--     -0.8204                 0.5577                 0.3476
 Raman1 Fr= 1--      14.962                  9.668                  9.568
 ROA1   Fr= 1--    -161.353                138.914                 55.626
 CID1   Fr= 1--     -10.784                 14.369                  5.814
 Raman2 Fr= 1--       4.502                  3.742                  3.573
 ROA2   Fr= 1--     -27.212                 25.805                  8.344
 CID2   Fr= 1--      -6.044                  6.896                  2.335
 Raman3 Fr= 1--       9.004                  7.484                  7.147
 ROA3   Fr= 1--    -161.353                138.914                 55.626
 CID3   Fr= 1--     -17.919                 18.562                  7.783
 RC180  Fr= 1--       0.204                  0.548                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.03   0.02   0.00    -0.01  -0.01  -0.00
     2   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
     3   6    -0.03   0.07   0.02     0.00  -0.03   0.00    -0.01   0.01  -0.01
     4   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.00   0.00
     5   6     0.05  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.00   0.00
     6   6     0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
     7   6     0.09  -0.02  -0.10    -0.04  -0.00  -0.07     0.01   0.01   0.07
     8   7    -0.02   0.02   0.03    -0.01   0.04   0.02     0.01  -0.03  -0.02
     9   6    -0.03  -0.03  -0.01     0.04  -0.01  -0.05     0.05  -0.01  -0.12
    10   1     0.16  -0.11   0.13     0.12  -0.17   0.11    -0.11   0.09  -0.09
    11   1    -0.44  -0.10   0.51     0.49  -0.22   0.45    -0.27   0.16  -0.32
    12   1    -0.02   0.09   0.09    -0.25   0.07   0.19    -0.33   0.20   0.31
    13   1    -0.05   0.05   0.15    -0.01   0.08   0.31    -0.00   0.09   0.47
    14   1     0.05  -0.04   0.02    -0.19  -0.05   0.19    -0.22  -0.12   0.41
    15   1    -0.20  -0.16  -0.01     0.13   0.09   0.01    -0.01  -0.00  -0.01
    16   1    -0.25   0.09   0.00     0.16  -0.06  -0.00    -0.05   0.03   0.00
    17   1    -0.03   0.19   0.02     0.02  -0.13  -0.01    -0.01   0.04   0.00
    18   1     0.23   0.16   0.03    -0.13  -0.10  -0.02     0.06   0.04   0.01
    19   1     0.27  -0.11   0.01    -0.13   0.04   0.01     0.05  -0.01  -0.01
    20   1    -0.09   0.08  -0.20    -0.11   0.08  -0.13     0.07  -0.07   0.13
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.8963              1491.9418              1496.3806
 Red. masses --      1.4810                 1.2224                 1.1326
 Frc consts  --      1.9395                 1.6031                 1.4942
 IR Inten    --      3.2431                12.5479                 1.7831
 RamAct Fr= 1--      1.8680                 2.7320                 4.1729
  Dep-P Fr= 1--      0.7481                 0.7121                 0.6829
  Dep-U Fr= 1--      0.8559                 0.8318                 0.8116
 Alpha2 Fr= 1--      0.0001                 0.0018                 0.0049
 Beta2  Fr= 1--      0.2665                 0.3788                 0.5644
 AlphaG Fr= 1--     -0.0016                 0.0026                -0.0379
 Gamma2 Fr= 1--      3.5575                -3.8496                -0.9954
 Delta2 Fr= 1--     -1.0672                 1.5344                -1.3090
 Raman1 Fr= 1--       7.472                 10.928                 16.691
 ROA1   Fr= 1--     307.374               -320.461               -137.447
 CID1   Fr= 1--      41.137                -29.324                 -8.235
 Raman2 Fr= 1--       3.198                  4.545                  6.773
 ROA2   Fr= 1--      93.918               -104.665                -13.418
 CID2   Fr= 1--      29.372                -23.028                 -1.981
 Raman3 Fr= 1--       6.395                  9.090                 13.546
 ROA3   Fr= 1--     307.374               -320.461               -137.447
 CID3   Fr= 1--      48.064                -35.253                -10.147
 RC180  Fr= 1--       0.712                  0.664                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01   0.00    -0.06  -0.00  -0.00     0.03  -0.00   0.00
     2   6    -0.04  -0.05  -0.01     0.04   0.02   0.00    -0.02  -0.01  -0.00
     3   6    -0.02   0.10   0.01     0.01  -0.06  -0.01    -0.01   0.04   0.00
     4   6     0.07  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.01  -0.00
     5   6    -0.08  -0.03  -0.01     0.05   0.01   0.00    -0.03  -0.01  -0.00
     6   6    -0.02   0.08   0.01     0.01  -0.05  -0.01    -0.01   0.04   0.00
     7   6    -0.00  -0.03  -0.01    -0.03  -0.00  -0.00     0.03  -0.03   0.01
     8   7     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6    -0.04  -0.01  -0.02    -0.02  -0.04  -0.01     0.03  -0.03   0.02
    10   1     0.01  -0.04   0.01     0.02  -0.05   0.02     0.01   0.02   0.00
    11   1    -0.15  -0.00  -0.02     0.20  -0.04  -0.02    -0.12   0.01  -0.05
    12   1     0.23   0.42   0.19     0.45   0.42   0.08     0.25  -0.15  -0.23
    13   1     0.00  -0.07  -0.28    -0.08   0.37  -0.33    -0.12   0.62   0.04
    14   1     0.31  -0.16   0.37    -0.05  -0.13   0.39    -0.60   0.08  -0.09
    15   1    -0.09  -0.15  -0.01     0.04   0.08   0.01    -0.01  -0.04  -0.01
    16   1     0.16  -0.13  -0.01    -0.14   0.09   0.01     0.08  -0.06  -0.00
    17   1     0.05  -0.39  -0.04    -0.04   0.24   0.03     0.02  -0.16  -0.02
    18   1    -0.19  -0.21  -0.03     0.09   0.12   0.02    -0.05  -0.08  -0.01
    19   1     0.06  -0.10  -0.01    -0.09   0.08   0.01     0.06  -0.05  -0.00
    20   1    -0.01  -0.01   0.03    -0.03   0.00   0.02    -0.01   0.02  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7138              1629.5175              1647.5853
 Red. masses --      2.1769                 5.3851                 5.4922
 Frc consts  --      3.0131                 8.4248                 8.7840
 IR Inten    --      8.1307                 0.6492                 3.9181
 RamAct Fr= 1--      0.1610                 8.9937                42.4531
  Dep-P Fr= 1--      0.4025                 0.7064                 0.6237
  Dep-U Fr= 1--      0.5740                 0.8280                 0.7682
 Alpha2 Fr= 1--      0.0012                 0.0068                 0.0979
 Beta2  Fr= 1--      0.0154                 1.2411                 5.4357
 AlphaG Fr= 1--      0.0000                 0.0040                 0.0638
 Gamma2 Fr= 1--      0.2569                -0.4581                 1.1872
 Delta2 Fr= 1--     -0.0868                -0.0690                 0.0478
 Raman1 Fr= 1--       0.644                 35.975                169.812
 ROA1   Fr= 1--      21.880                -46.189                115.502
 CID1   Fr= 1--      33.983                 -1.284                  0.680
 Raman2 Fr= 1--       0.185                 14.893                 65.228
 ROA2   Fr= 1--       6.859                -10.444                 28.111
 CID2   Fr= 1--      37.120                 -0.701                  0.431
 Raman3 Fr= 1--       0.370                 29.785                130.456
 ROA3   Fr= 1--      21.880                -46.189                115.502
 CID3   Fr= 1--      59.207                 -1.551                  0.885
 RC180  Fr= 1--       0.148                  0.656                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12  -0.02    -0.03  -0.21  -0.02    -0.26  -0.12  -0.02
     2   6    -0.09   0.08   0.01    -0.14   0.17   0.02     0.29  -0.04   0.00
     3   6     0.13   0.03   0.01     0.06  -0.29  -0.03    -0.21  -0.04  -0.01
     4   6    -0.05  -0.11  -0.01     0.05   0.19   0.02     0.28   0.13   0.02
     5   6    -0.13   0.09   0.01     0.11  -0.19  -0.02    -0.28   0.02  -0.01
     6   6     0.10   0.02   0.01    -0.05   0.35   0.04     0.13   0.04   0.01
     7   6    -0.02  -0.01  -0.00    -0.02   0.04   0.01     0.02   0.01   0.00
     8   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.01
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.02   0.01    -0.01   0.07  -0.01    -0.02   0.08  -0.01
    11   1    -0.06  -0.00   0.00     0.25  -0.01   0.01     0.03   0.00  -0.01
    12   1     0.04   0.05   0.02    -0.01  -0.00   0.01    -0.02  -0.00   0.00
    13   1    -0.00  -0.01  -0.06     0.00  -0.02  -0.00     0.00   0.01   0.03
    14   1     0.04  -0.02   0.04     0.02   0.00  -0.02    -0.02  -0.00   0.00
    15   1     0.40   0.22   0.04    -0.28  -0.06  -0.02    -0.29  -0.31  -0.04
    16   1     0.47  -0.14  -0.00    -0.24  -0.07  -0.01     0.27  -0.20  -0.01
    17   1     0.13  -0.00   0.00     0.07  -0.47  -0.05     0.16  -0.01   0.01
    18   1     0.39   0.24   0.04     0.24  -0.02   0.00     0.22   0.26   0.04
    19   1     0.43  -0.11  -0.00     0.32  -0.00   0.01    -0.31   0.21   0.02
    20   1    -0.01  -0.00   0.02     0.03   0.01  -0.05     0.02   0.02  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1659.7761              3023.8511              3033.0129
 Red. masses --      1.0940                 1.0776                 1.0434
 Frc consts  --      1.7757                 5.8056                 5.6555
 IR Inten    --     26.8895                12.2365                26.0649
 RamAct Fr= 1--      3.0971               136.5920                91.2581
  Dep-P Fr= 1--      0.7308                 0.0961                 0.0596
  Dep-U Fr= 1--      0.8444                 0.1753                 0.1125
 Alpha2 Fr= 1--      0.0010                 2.4147                 1.7619
 Beta2  Fr= 1--      0.4359                 3.9901                 1.7106
 AlphaG Fr= 1--      0.0117                 0.5839                -0.2081
 Gamma2 Fr= 1--      0.4569                 0.6333                 0.5453
 Delta2 Fr= 1--      0.6806                -0.5500                -0.3733
 Raman1 Fr= 1--      12.388                546.368                365.032
 ROA1   Fr= 1--      65.642                 43.201                 40.403
 CID1   Fr= 1--       5.299                  0.079                  0.111
 Raman2 Fr= 1--       5.231                 47.882                 20.527
 ROA2   Fr= 1--       5.522                 19.600                 16.074
 CID2   Fr= 1--       1.056                  0.409                  0.783
 Raman3 Fr= 1--      10.461                 95.763                 41.055
 ROA3   Fr= 1--      65.642                 43.201                 40.403
 CID3   Fr= 1--       6.275                  0.451                  0.984
 RC180  Fr= 1--       0.689                 -0.649                 -0.775
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.03  -0.01   0.00    -0.01  -0.07  -0.02    -0.01  -0.03  -0.01
     8   7     0.01  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.01    -0.00   0.02   0.01     0.02  -0.02  -0.04
    10   1    -0.08   0.69  -0.09     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.05  -0.03   0.03     0.13   0.86   0.22     0.06   0.38   0.10
    12   1    -0.00   0.04   0.03    -0.05   0.07  -0.08     0.19  -0.27   0.31
    13   1     0.01  -0.01  -0.02     0.12   0.03   0.01    -0.47  -0.10  -0.03
    14   1     0.01  -0.02   0.04    -0.05  -0.39  -0.11     0.08   0.61   0.17
    15   1     0.02   0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.01  -0.00
    20   1     0.14   0.16  -0.67    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.8401              3115.2295              3156.3850
 Red. masses --      1.0978                 1.1031                 1.0863
 Frc consts  --      6.1952                 6.3076                 6.3766
 IR Inten    --     30.6352                23.2187                 9.1774
 RamAct Fr= 1--     75.7804                93.4343                28.3363
  Dep-P Fr= 1--      0.3227                 0.6801                 0.2353
  Dep-U Fr= 1--      0.4879                 0.8096                 0.3810
 Alpha2 Fr= 1--      0.7254                 0.1151                 0.3498
 Beta2  Fr= 1--      6.1628                12.6076                 1.7993
 AlphaG Fr= 1--     -0.0852                 0.0359                -0.0128
 Gamma2 Fr= 1--     -1.8526                 2.2533                -0.4908
 Delta2 Fr= 1--     -6.4193                 6.8215                -0.1592
 Raman1 Fr= 1--     303.121                373.737                113.345
 ROA1   Fr= 1--    -383.268                434.603                -52.208
 CID1   Fr= 1--      -1.264                  1.163                 -0.461
 Raman2 Fr= 1--      73.954                151.292                 21.591
 ROA2   Fr= 1--       6.892                 -0.493                -10.505
 CID2   Fr= 1--       0.093                 -0.003                 -0.487
 Raman3 Fr= 1--     147.907                302.583                 43.182
 ROA3   Fr= 1--    -383.268                434.603                -52.208
 CID3   Fr= 1--      -2.591                  1.436                 -1.209
 RC180  Fr= 1--      -0.024                  0.619                 -0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.06  -0.01
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.03  -0.08   0.01    -0.08   0.02  -0.04    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.02   0.15   0.04     0.00   0.00   0.00     0.01   0.02   0.01
    12   1    -0.23   0.29  -0.37     0.30  -0.42   0.50     0.00  -0.00   0.00
    13   1     0.52   0.09   0.03     0.67   0.15   0.03     0.00   0.00  -0.00
    14   1     0.07   0.61   0.18    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    15   1     0.02  -0.02  -0.00    -0.01   0.01   0.00     0.22  -0.28  -0.02
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.09   0.24   0.03
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.03  -0.01
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.24  -0.31  -0.03
    19   1    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.28   0.72   0.09
    20   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3158.9430              3172.4675              3180.9528
 Red. masses --      1.0866                 1.0889                 1.0931
 Frc consts  --      6.3883                 6.4568                 6.5166
 IR Inten    --      5.8521                 3.1966                31.6049
 RamAct Fr= 1--     75.9331               125.5493                43.8050
  Dep-P Fr= 1--      0.7474                 0.4628                 0.7500
  Dep-U Fr= 1--      0.8554                 0.6327                 0.8571
 Alpha2 Fr= 1--      0.0034                 0.7305                 0.0000
 Beta2  Fr= 1--     10.8257                13.2398                 6.2578
 AlphaG Fr= 1--     -0.0016                -0.0132                -0.0001
 Gamma2 Fr= 1--     -0.4928                -0.7513                 0.0595
 Delta2 Fr= 1--     -1.1421                -1.0032                 0.6154
 Raman1 Fr= 1--     303.732                502.197                175.220
 ROA1   Fr= 1--     -83.857               -104.226                 25.404
 CID1   Fr= 1--      -0.276                 -0.208                  0.145
 Raman2 Fr= 1--     129.909                158.877                 75.093
 ROA2   Fr= 1--      -2.690                -10.006                 -3.495
 CID2   Fr= 1--      -0.021                 -0.063                 -0.047
 Raman3 Fr= 1--     259.817                317.754                150.186
 ROA3   Fr= 1--     -83.857               -104.226                 25.404
 CID3   Fr= 1--      -0.323                 -0.328                  0.169
 RC180  Fr= 1--       0.711                  0.265                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.02  -0.03  -0.00     0.04  -0.04  -0.00
     2   6    -0.01  -0.04  -0.00    -0.01  -0.03  -0.00    -0.01  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.04  -0.05  -0.00    -0.02   0.03   0.00     0.02  -0.02  -0.00
     5   6     0.01   0.03   0.00     0.01   0.03   0.00    -0.02  -0.05  -0.01
     6   6    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    15   1    -0.48   0.62   0.05     0.23  -0.30  -0.03    -0.18   0.23   0.02
    16   1    -0.14  -0.36  -0.05    -0.14  -0.35  -0.05     0.24   0.60   0.08
    17   1     0.09   0.01   0.00     0.64   0.09   0.03     0.02  -0.00   0.00
    18   1     0.08  -0.10  -0.01    -0.26   0.33   0.03    -0.40   0.51   0.05
    19   1     0.16   0.41   0.05     0.12   0.30   0.04     0.09   0.22   0.03
    20   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3193.8316              3478.1368              3555.2504
 Red. masses --      1.0973                 1.0485                 1.0929
 Frc consts  --      6.5947                 7.4732                 8.1390
 IR Inten    --     16.1824                 1.4087                 0.5000
 RamAct Fr= 1--    292.7971                93.3783                37.1528
  Dep-P Fr= 1--      0.1061                 0.0611                 0.7049
  Dep-U Fr= 1--      0.1918                 0.1152                 0.8269
 Alpha2 Fr= 1--      5.0509                 1.7961                 0.0291
 Beta2  Fr= 1--      9.3581                 1.7936                 5.1204
 AlphaG Fr= 1--     -0.0601                -0.1774                -0.0949
 Gamma2 Fr= 1--     -0.2935                -0.5245                 0.2598
 Delta2 Fr= 1--     -0.1808                -1.7481                 1.4065
 Raman1 Fr= 1--    1171.188                373.513                148.611
 ROA1   Fr= 1--     -33.968               -106.293                 69.949
 CID1   Fr= 1--      -0.029                 -0.285                  0.471
 Raman2 Fr= 1--     112.297                 21.523                 61.444
 ROA2   Fr= 1--      -5.598                  1.396                 -5.016
 CID2   Fr= 1--      -0.050                  0.065                 -0.082
 Raman3 Fr= 1--     224.593                 43.047                122.889
 ROA3   Fr= 1--     -33.968               -106.293                 69.949
 CID3   Fr= 1--      -0.151                 -2.469                  0.569
 RC180  Fr= 1--      -0.616                 -0.770                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.06  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.02  -0.04   0.03     0.02  -0.05  -0.06
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.29  -0.08  -0.60    -0.34   0.05   0.65
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.09   0.11   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.16   0.42   0.05    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.72   0.10   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.29  -0.38  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    19   1    -0.05  -0.12  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.03   0.70   0.20     0.00   0.65   0.16

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   525.114091659.442701822.33125
           X            0.99994  -0.00194  -0.01109
           Y            0.00196   1.00000   0.00193
           Z            0.01108  -0.00195   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16494     0.05219     0.04753
 Rotational constants (GHZ):           3.43686     1.08756     0.99035
 Zero-point vibrational energy     455728.5 (Joules/Mol)
                                  108.92173 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.61   184.43   305.35   358.58   381.45
          (Kelvin)            453.92   486.16   594.08   703.24   792.86
                              860.89   918.86  1024.72  1099.29  1120.51
                             1226.37  1254.38  1318.68  1334.28  1377.80
                             1401.13  1453.95  1473.23  1497.82  1520.54
                             1592.72  1639.28  1704.17  1734.00  1746.34
                             1823.14  1883.48  1948.39  1984.68  2015.00
                             2029.28  2145.07  2146.57  2152.96  2205.23
                             2344.51  2370.51  2388.05  4350.65  4363.83
                             4452.78  4482.12  4541.33  4545.01  4564.47
                             4576.68  4595.21  5004.26  5115.21
 
 Zero-point correction=                           0.173578 (Hartree/Particle)
 Thermal correction to Energy=                    0.182170
 Thermal correction to Enthalpy=                  0.183114
 Thermal correction to Gibbs Free Energy=         0.139606
 Sum of electronic and zero-point Energies=           -366.227424
 Sum of electronic and thermal Energies=              -366.218832
 Sum of electronic and thermal Enthalpies=            -366.217887
 Sum of electronic and thermal Free Energies=         -366.261396
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.313             33.057             91.571
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.853
 Vibrational            112.536             27.096             22.430
 Vibration     1          0.593              1.985              6.211
 Vibration     2          0.611              1.925              2.973
 Vibration     3          0.643              1.822              2.024
 Vibration     4          0.662              1.764              1.736
 Vibration     5          0.671              1.737              1.628
 Vibration     6          0.703              1.644              1.333
 Vibration     7          0.718              1.600              1.222
 Vibration     8          0.777              1.442              0.916
 Vibration     9          0.845              1.275              0.687
 Vibration    10          0.906              1.137              0.542
 Vibration    11          0.956              1.035              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610700D-64        -64.214172       -147.858596
 Total V=0       0.422685D+16         15.626017         35.980233
 Vib (Bot)       0.258493D-77        -77.587551       -178.651939
 Vib (Bot)    1  0.836664D+01          0.922551          2.124253
 Vib (Bot)    2  0.159113D+01          0.201706          0.464446
 Vib (Bot)    3  0.935028D+00         -0.029175         -0.067179
 Vib (Bot)    4  0.783396D+00         -0.106018         -0.244116
 Vib (Bot)    5  0.730761D+00         -0.136225         -0.313669
 Vib (Bot)    6  0.597432D+00         -0.223712         -0.515115
 Vib (Bot)    7  0.550255D+00         -0.259436         -0.597374
 Vib (Bot)    8  0.427545D+00         -0.369019         -0.849697
 Vib (Bot)    9  0.339588D+00         -0.469048         -1.080023
 Vib (Bot)   10  0.284486D+00         -0.545938         -1.257070
 Vib (Bot)   11  0.249975D+00         -0.602103         -1.386393
 Vib (V=0)       0.178911D+03          2.252638          5.186890
 Vib (V=0)    1  0.888157D+01          0.948490          2.183978
 Vib (V=0)    2  0.216784D+01          0.336028          0.773733
 Vib (V=0)    3  0.156032D+01          0.193213          0.444891
 Vib (V=0)    4  0.142936D+01          0.155142          0.357227
 Vib (V=0)    5  0.138544D+01          0.141589          0.326021
 Vib (V=0)    6  0.127905D+01          0.106889          0.246121
 Vib (V=0)    7  0.124349D+01          0.094643          0.217924
 Vib (V=0)    8  0.115787D+01          0.063660          0.146583
 Vib (V=0)    9  0.110442D+01          0.043133          0.099318
 Vib (V=0)   10  0.107527D+01          0.031516          0.072569
 Vib (V=0)   11  0.105901D+01          0.024898          0.057331
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.451094D+06          5.654267         13.019431
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       333333333                                               111 1111 1111 11111111111                                    
     5  4       111111000                                               666 5444 4433 32221110000999988 77 7  65 5 4  4 33 222  1    
     5  7       987551932                                               643 3999 1075 06108305421752175 76 1  39 5 8  1 31 641  2   2
     5  8       412965534                                               080 3621 0094 97454977141487722 94 2  98 1 9  3 85 592  8   5
 
     X  X       XXXXXXXXX                                               XXX XXXX XXXX XXX XXXXXXXXXXXXX XX X   X X X  X XX XXX  X   X
                XX   XXX                                                X                     X      X  XX X     X          X        
                 X   XXX                                                X                     X      X   X X                X        
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002670    0.000007893    0.000001968
      2        6          -0.000004194   -0.000000349    0.000000855
      3        6          -0.000008447    0.000002333   -0.000002740
      4        6           0.000006527    0.000002939    0.000001733
      5        6          -0.000005445   -0.000001554    0.000000674
      6        6          -0.000003923   -0.000007472   -0.000002398
      7        6           0.000031443   -0.000013167    0.000026803
      8        7          -0.000017494    0.000008271   -0.000012223
      9        6           0.000002935   -0.000011877   -0.000012023
     10        1           0.000003000   -0.000000962   -0.000002368
     11        1          -0.000003885    0.000000095   -0.000008171
     12        1          -0.000003120    0.000002496    0.000000140
     13        1           0.000002069    0.000005182    0.000002873
     14        1          -0.000003742    0.000004462    0.000000181
     15        1           0.000000237   -0.000002108   -0.000000437
     16        1          -0.000000115   -0.000002175    0.000000825
     17        1          -0.000001199    0.000000798    0.000001933
     18        1          -0.000001813    0.000000163   -0.000000529
     19        1           0.000001794    0.000001782   -0.000000338
     20        1           0.000002700    0.000003251    0.000003243
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000031443 RMS     0.000007393
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136758D+03 -0.285206D+00  0.947457D+00
      2  -0.285206D+00  0.108796D+03  0.254840D+01
      3   0.947457D+00  0.254840D+01  0.790246D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.698592D+00  0.286194D+01  0.177439D+01
      2   0.493339D+00  0.801610D+01 -0.163923D+02
      3  -0.516309D+01 -0.365143D+02 -0.794424D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.674510D+02  0.556027D+00 -0.530219D+00
      2  -0.128293D+02  0.301520D+00 -0.530709D+01
      3  -0.546217D+02 -0.857547D+00  0.583730D+01
      4   0.269520D+01  0.760033D+02  0.178456D+02
      5   0.105977D+02  0.178366D+02 -0.423676D+02
      6   0.688324D+01  0.724649D+01 -0.293478D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.295627D+01 -0.976207D+00 -0.328128D+00 -0.624227D+01 -0.958654D+00
      2  -0.976207D+00  0.375545D+01  0.350794D+00 -0.958654D+00 -0.646302D+00
      3  -0.328128D+00  0.350794D+00  0.181426D+01 -0.519320D+00  0.664904D+00
                 6             7             8             9            10 
      1  -0.519320D+00 -0.121392D+01 -0.364070D+00  0.304553D+01  0.612456D+01
      2   0.664904D+00 -0.364070D+00  0.100008D+01 -0.366636D+01  0.265695D+01
      3  -0.233718D+01  0.304553D+01 -0.366636D+01 -0.999296D+00  0.799447D+00
                11            12            13            14            15 
      1   0.265695D+01  0.799447D+00 -0.768253D+01 -0.271486D+00 -0.104689D+00
      2  -0.289332D+01  0.293254D-02 -0.271486D+00 -0.176955D+01  0.570162D+00
      3   0.293254D-02 -0.128501D+01 -0.104689D+00  0.570162D+00 -0.246458D+01
                16            17            18            19            20 
      1  -0.927955D+00  0.596659D+00 -0.137990D+01 -0.183108D+02 -0.123498D+01
      2   0.596659D+00  0.719090D+00 -0.407673D+01 -0.123498D+01 -0.222954D+01
      3  -0.137990D+01 -0.407673D+01 -0.151696D+01 -0.344638D+00  0.317828D-01
                21            22            23            24            25 
      1  -0.344638D+00 -0.208494D+01  0.203722D+01  0.894492D+00 -0.376678D+00
      2   0.317828D-01  0.203722D+01 -0.514243D+00 -0.334553D-01  0.619440D+00
      3  -0.249902D+01  0.894492D+00 -0.334553D-01  0.320196D+00 -0.414922D+01
                26            27            28            29            30 
      1   0.619440D+00 -0.414922D+01  0.454440D+01 -0.752284D+00  0.484231D+00
      2  -0.352623D+00 -0.437714D+00 -0.752284D+00 -0.398097D+01 -0.337297D+00
      3  -0.437714D+00 -0.154696D-01  0.484231D+00 -0.337297D+00 -0.185278D+01
                31            32            33            34            35 
      1   0.873589D+01 -0.299818D+00  0.389594D+00  0.133949D+01  0.558319D-01
      2  -0.299818D+00  0.842069D+00 -0.509591D+00  0.558319D-01 -0.777540D+00
      3   0.389594D+00 -0.509591D+00  0.177101D+01 -0.179295D+01  0.324827D+01
                36            37            38            39            40 
      1  -0.179295D+01 -0.523005D+01 -0.620506D+00 -0.438234D+00  0.607492D+01
      2   0.324827D+01 -0.620506D+00  0.240923D+01  0.417383D-02  0.228855D+00
      3   0.794341D+00 -0.438234D+00  0.417383D-02  0.893762D+00 -0.379174D-01
                41            42            43            44            45 
      1   0.228855D+00 -0.379174D-01  0.432014D+00 -0.394474D+00  0.208619D+01
      2   0.156770D+01 -0.666425D+00 -0.394474D+00 -0.752911D+00  0.424196D+01
      3  -0.666425D+00  0.268820D+01  0.208619D+01  0.424196D+01  0.141923D+01
                46            47            48            49            50 
      1   0.723571D+01  0.359875D+00  0.290173D-01  0.614109D+00 -0.733410D+00
      2   0.359875D+00  0.340906D+01  0.159308D-02 -0.733410D+00 -0.227438D+00
      3   0.290173D-01  0.159308D-02  0.334576D+01 -0.889487D+00 -0.205075D+00
                51            52            53            54            55 
      1  -0.889487D+00 -0.193044D+00 -0.725805D+00  0.573874D+01  0.304922D+01
      2  -0.205075D+00 -0.725805D+00 -0.526303D-01  0.688904D+00 -0.106756D+00
      3   0.402232D+00  0.573874D+01  0.688904D+00  0.627564D+00 -0.109097D+01
                56            57            58            59            60 
      1  -0.106756D+00 -0.109097D+01 -0.462994D+01  0.114478D+01 -0.157725D+01
      2  -0.186764D+00 -0.867947D+00  0.114478D+01  0.624263D+01  0.219494D+01
      3  -0.867947D+00  0.329976D+01 -0.157725D+01  0.219494D+01 -0.152823D+01
                61            62            63            64            65 
      1  -0.202933D+00 -0.888915D+00  0.647134D+01 -0.279110D+01  0.120275D+01
      2  -0.888915D+00  0.147206D+01 -0.333112D+00  0.120275D+01  0.101788D+00
      3   0.647134D+01 -0.333112D+00 -0.192622D+01 -0.782502D+00  0.990129D+00
                66            67            68            69            70 
      1  -0.782502D+00  0.401465D+01 -0.128067D+01  0.780224D+00 -0.255666D+01
      2   0.990129D+00 -0.128067D+01 -0.476430D+01 -0.144112D+01  0.575400D+00
      3  -0.446370D+01  0.780224D+00 -0.144112D+01  0.541326D+00 -0.530781D+01
                71            72            73            74            75 
      1   0.575400D+00 -0.530781D+01  0.827614D+01  0.209788D+01 -0.456694D+00
      2  -0.673781D+00  0.207007D+00  0.209788D+01 -0.104082D+01  0.735518D+00
      3   0.207007D+00  0.229544D+01 -0.456694D+00  0.735518D+00 -0.374931D+01
                76            77            78            79            80 
      1   0.347134D+01 -0.688675D+00  0.583839D+00  0.435776D+01  0.915446D+00
      2  -0.688675D+00 -0.373881D+01 -0.331384D+01  0.915446D+00 -0.263014D+01
      3   0.583839D+00 -0.331384D+01  0.206553D+01 -0.486445D+01  0.135928D+01
                81            82            83            84            85 
      1  -0.486445D+01 -0.211196D+00 -0.122969D+00 -0.722137D+00 -0.891364D+00
      2   0.135928D+01 -0.122969D+00  0.233104D+00 -0.176786D+00 -0.614418D-01
      3   0.119165D+01 -0.722137D+00 -0.176786D+00  0.294758D+01  0.922362D-01
                86            87            88            89            90 
      1  -0.614418D-01  0.922362D-01 -0.182759D+01  0.933170D-01  0.111895D+01
      2   0.647767D-01 -0.778631D+00  0.933170D-01 -0.114705D+01  0.622318D+00
      3  -0.778631D+00 -0.495936D+00  0.111895D+01  0.622318D+00 -0.798034D+01
                91            92            93            94            95 
      1   0.114485D-01 -0.123924D+01 -0.228507D+00 -0.216973D+01 -0.156517D+01
      2  -0.123924D+01 -0.986329D+00 -0.157276D+00 -0.156517D+01 -0.705810D+01
      3  -0.228507D+00 -0.157276D+00 -0.686442D+00 -0.134474D+00 -0.122973D+01
                96            97            98            99           100 
      1  -0.134474D+00 -0.224185D+00 -0.160550D+00 -0.971136D+00  0.342736D+00
      2  -0.122973D+01 -0.160550D+00 -0.133137D+01 -0.112024D+01 -0.780301D+00
      3  -0.150333D+01 -0.971136D+00 -0.112024D+01 -0.808877D+00  0.794682D+00
               101           102           103           104           105 
      1  -0.780301D+00  0.794682D+00 -0.129367D+01  0.196408D+00 -0.109963D+00
      2   0.906774D+00 -0.819034D+00  0.196408D+00 -0.192355D+01  0.223859D+01
      3  -0.819034D+00  0.228652D+01 -0.109963D+00  0.223859D+01 -0.297774D+01
               106           107           108           109           110 
      1   0.704841D+00 -0.320235D+00  0.505527D+00 -0.131915D+02 -0.161089D+01
      2  -0.320235D+00  0.197779D+01 -0.213588D+01 -0.161089D+01 -0.117201D+01
      3   0.505527D+00 -0.213588D+01  0.514358D+01  0.212096D+01  0.223916D+00
               111           112           113           114           115 
      1   0.212096D+01 -0.239031D+01 -0.144052D+01  0.446121D+00 -0.651332D+00
      2   0.223916D+00 -0.144052D+01 -0.413244D+00  0.533055D+00 -0.394362D-01
      3  -0.162160D+01  0.446121D+00  0.533055D+00 -0.646862D+00 -0.632990D+00
               116           117           118           119           120 
      1  -0.394362D-01 -0.632990D+00 -0.501726D+00  0.572982D+00  0.202907D+00
      2   0.656237D-01 -0.310065D+00  0.572982D+00  0.253077D+00  0.138650D-01
      3  -0.310065D+00  0.212588D-01  0.202907D+00  0.138650D-01  0.682681D+00
               121           122           123           124           125 
      1   0.184408D+01 -0.536113D+00 -0.781254D+00  0.298048D+00 -0.236821D+00
      2  -0.536113D+00  0.541875D+01  0.216474D+01 -0.236821D+00  0.151618D+01
      3  -0.781254D+00  0.216474D+01  0.246690D+01  0.111494D+00  0.106097D+01
               126           127           128           129           130 
      1   0.111494D+00 -0.342208D+01  0.230236D+01  0.115455D+00  0.276233D+01
      2   0.106097D+01  0.230236D+01 -0.243271D+01 -0.157903D+00 -0.288489D+01
      3   0.158053D+01  0.115455D+00 -0.157903D+00 -0.282762D+00 -0.227203D+00
               131           132           133           134           135 
      1  -0.288489D+01 -0.227203D+00  0.204453D+00 -0.274983D+00  0.119018D+00
      2   0.574902D+01  0.457769D+00 -0.274983D+00  0.515867D+00  0.479108D-01
      3   0.457769D+00  0.706502D+00  0.119018D+00  0.479108D-01  0.831758D-01
               136           137           138           139           140 
      1   0.216634D+01  0.257529D+01  0.332982D+00  0.230639D+01  0.386046D+01
      2   0.257529D+01  0.283002D+01  0.359724D+00  0.386046D+01  0.955755D+01
      3   0.332982D+00  0.359724D+00  0.343204D+00  0.492220D+00  0.111412D+01
               141           142           143           144           145 
      1   0.492220D+00  0.493903D+00  0.544890D+00  0.702385D-01  0.129572D+02
      2   0.111412D+01  0.544890D+00  0.125492D+01  0.696852D-01  0.143228D+01
      3   0.915068D+00  0.702385D-01  0.696852D-01  0.100413D+00  0.494442D+00
               146           147           148           149           150 
      1   0.143228D+01  0.494442D+00  0.143539D+01  0.173037D+01  0.257993D+00
      2   0.888150D+00  0.497288D-01  0.173037D+01  0.530826D+00  0.891731D-01
      3   0.497288D-01  0.822081D+00  0.257993D+00  0.891731D-01  0.129852D+00
               151           152           153           154           155 
      1   0.544200D+00  0.251613D+00 -0.197230D+00  0.500214D+01 -0.392717D+01
      2   0.251613D+00  0.578704D-01  0.552280D-02 -0.392717D+01  0.354613D+01
      3  -0.197230D+00  0.552280D-02  0.342754D-01 -0.330120D+00  0.258982D+00
               156           157           158           159           160 
      1  -0.330120D+00 -0.387321D+01  0.453854D+01  0.444118D+00 -0.312388D+00
      2   0.258982D+00  0.453854D+01 -0.660105D+01 -0.591568D+00  0.414108D+00
      3   0.520945D+00  0.444118D+00 -0.591568D+00 -0.733240D+00  0.573688D-01
               161           162           163           164           165 
      1   0.414108D+00  0.573688D-01 -0.145685D+01 -0.172464D+01 -0.241819D+00
      2  -0.725731D+00  0.366561D-01 -0.172464D+01 -0.225435D+01 -0.302602D+00
      3   0.366561D-01 -0.405863D-01 -0.241819D+00 -0.302602D+00 -0.182209D+00
               166           167           168           169           170 
      1  -0.161476D+01 -0.194341D+01 -0.275793D+00 -0.636796D-01 -0.365290D+00
      2  -0.194341D+01 -0.878384D+01 -0.101419D+01 -0.365290D+00 -0.119479D+01
      3  -0.275793D+00 -0.101419D+01 -0.900310D+00  0.120450D+00 -0.136314D+00
               171           172           173           174           175 
      1   0.120450D+00 -0.163824D+01 -0.104419D+00 -0.410376D+00  0.161364D+01
      2  -0.136314D+00 -0.104419D+00 -0.115597D+01 -0.204294D+00 -0.107238D+01
      3  -0.838183D-01 -0.410376D+00 -0.204294D+00 -0.333729D+00  0.276513D+00
               176           177           178           179           180 
      1  -0.107238D+01  0.276513D+00  0.175660D+00 -0.296124D+00 -0.149169D+00
      2   0.646710D+01 -0.243822D+00 -0.296124D+00  0.105907D+01  0.627930D+00
      3  -0.243822D+00  0.158059D+01 -0.149169D+00  0.627930D+00  0.800999D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.874987D+00 -0.623968D+00  0.308570D+01 -0.127014D+01 -0.331316D+00
      2  -0.470654D-01  0.854926D+00  0.256703D+01 -0.172864D+00  0.212430D+01
      3   0.648534D+01 -0.984242D+01 -0.546735D+00  0.870084D+01  0.285324D+01
                 6             7             8             9            10 
      1  -0.220326D+01  0.686111D+01  0.385855D+01  0.443648D+00  0.111048D+01
      2  -0.743906D+01 -0.351215D+01 -0.106349D+02 -0.253400D+01  0.708260D+00
      3  -0.942366D+00  0.443614D+00 -0.158702D+01  0.549633D+01 -0.100749D+02
                11            12            13            14            15 
      1   0.836211D+00 -0.250811D+01  0.415230D+00  0.553498D+00 -0.313812D+01
      2   0.848058D+00 -0.164669D+01  0.158988D+01 -0.438219D+00 -0.128888D+01
      3  -0.409277D+01 -0.155211D+01  0.464032D+01  0.681675D+01  0.161360D-01
                16            17            18            19            20 
      1  -0.491002D+01  0.420715D+00 -0.589680D+00 -0.158535D+01 -0.125894D+00
      2  -0.123697D+02 -0.200350D+01 -0.114320D+01 -0.310168D+01  0.680164D-01
      3  -0.115315D+00 -0.217346D+00  0.562374D+01  0.550385D+01  0.739928D+01
                21            22            23            24            25 
      1  -0.545596D-01 -0.102804D+01 -0.211210D+01  0.140175D+01 -0.644174D+00
      2  -0.195412D+01 -0.684184D+00  0.819692D+00 -0.921049D+00 -0.180506D+02
      3   0.721903D+00  0.189520D+02  0.125329D+01  0.903052D-01 -0.152247D+01
                26            27            28            29            30 
      1   0.106676D+02  0.192912D+01  0.139186D+00 -0.489988D+00  0.318592D+01
      2   0.155661D+00 -0.202530D+01  0.528953D+00  0.181062D+00 -0.137479D+01
      3  -0.626797D+00  0.846948D+00 -0.195354D+01  0.162107D+01  0.492358D+00
                31            32            33            34            35 
      1   0.314597D+00  0.154316D+00 -0.179942D+01  0.700178D+01  0.328422D+01
      2   0.182421D+01  0.257006D+00  0.105697D+01 -0.120926D+02  0.437518D+00
      3  -0.175337D+01 -0.710469D+01 -0.349737D+00 -0.667096D+00  0.794429D+00
                36            37            38            39            40 
      1   0.260982D+00 -0.417092D+00  0.848198D+00 -0.229750D+01  0.798473D+00
      2   0.427291D+00 -0.238641D+00  0.123694D+01 -0.136242D+00  0.607534D+00
      3  -0.631862D+01  0.585584D+01 -0.150580D+02 -0.143606D+01  0.362577D+01
                41            42            43            44            45 
      1   0.154444D+00 -0.408276D+01 -0.553358D+01  0.478044D+00 -0.722742D+00
      2  -0.179797D+01  0.650583D+01 -0.824054D+01  0.979901D+01  0.244618D+01
      3  -0.765624D+00  0.128960D+01  0.375425D+00  0.154570D+01 -0.481736D+01
                46            47            48            49            50 
      1   0.454495D+00 -0.232095D+00 -0.114306D+01 -0.889420D-01 -0.123734D+01
      2  -0.621820D-01 -0.292522D+00  0.909422D+01 -0.305177D+01 -0.235002D+00
      3  -0.428399D+01 -0.689263D+01  0.150077D+00  0.117394D+02 -0.407226D+01
                51            52            53            54            55 
      1   0.314068D+01 -0.223141D+01  0.115374D+02  0.171086D+01 -0.596663D+00
      2   0.184393D+01  0.915782D+01  0.261224D+01  0.141910D+01  0.578731D+01
      3   0.204479D+00  0.198031D+01  0.275224D+00 -0.171121D+01 -0.445289D+01
                56            57            58            59            60 
      1  -0.472929D+00  0.348860D+00  0.138427D+01  0.188505D+01 -0.284454D+01
      2   0.139118D+01 -0.397944D+01 -0.493335D+00 -0.549279D+01  0.273987D+01
      3   0.131665D+01 -0.104791D+01  0.113804D+02  0.128597D+02  0.635812D+01
                61            62            63            64            65 
      1   0.143879D+01  0.181032D+01 -0.144893D+01 -0.566320D+00  0.281317D+01
      2  -0.163200D+02  0.740048D+00  0.305105D+01 -0.211833D+01 -0.176155D+01
      3   0.657385D+00  0.666726D+01 -0.487280D+01  0.682359D+01 -0.973905D+01
                66            67            68            69            70 
      1   0.130833D+01 -0.305704D+00  0.826278D+01 -0.193618D+01 -0.473447D+00
      2   0.192034D+02  0.107620D+01  0.269342D+01 -0.399889D+00  0.849354D+01
      3   0.366075D+01 -0.214355D+01 -0.165451D+02 -0.395835D+01  0.141860D+01
                71            72            73            74            75 
      1   0.521456D+01 -0.303801D+01  0.301856D+01 -0.250333D+01  0.483848D+00
      2   0.831580D+00 -0.126594D+02 -0.121662D+02 -0.476651D+01  0.139952D+02
      3  -0.524549D+01 -0.626178D+00  0.580877D+01 -0.717034D+01  0.111313D+01
                76            77            78            79            80 
      1  -0.232911D+00 -0.689784D+01 -0.806226D+01 -0.116934D+01 -0.355886D+01
      2  -0.323577D+01  0.107211D+02 -0.612984D+01  0.907955D+01 -0.455158D+01
      3  -0.101567D+01 -0.122262D+02 -0.105185D+02 -0.618559D+00 -0.102689D+02
                81            82            83            84            85 
      1   0.432830D+01 -0.139871D+00 -0.162837D+01 -0.148418D+01 -0.719301D+00
      2   0.328749D+01  0.455318D+01  0.458065D-01 -0.849207D+01 -0.176102D+01
      3   0.631850D+01 -0.807516D+00  0.867857D+00 -0.387869D+00  0.128244D+01
                86            87            88            89            90 
      1  -0.140353D+00  0.785794D-02 -0.842332D+00  0.281945D+01  0.227156D+01
      2   0.152568D+01  0.122581D+01 -0.888729D+01 -0.178815D+01  0.224309D+02
      3   0.572382D+00 -0.116159D+01 -0.381587D+00 -0.174214D+01  0.336570D+01
                91            92            93            94            95 
      1  -0.144647D+00 -0.661117D-01 -0.759455D+00 -0.287994D+00  0.118473D+00
      2   0.269722D+00  0.201063D+00  0.210298D+01  0.848890D-02  0.263326D+01
      3  -0.379716D+01 -0.265800D+01 -0.213020D+00  0.258944D+01 -0.134461D+02
                96            97            98            99           100 
      1  -0.337401D+01 -0.410783D+00  0.100274D+01 -0.871000D+00 -0.132816D+01
      2   0.303649D+01  0.183059D+00  0.157882D+01  0.155650D+01 -0.419352D+01
      3  -0.291607D+01  0.269960D+00 -0.286197D+01 -0.112528D+01 -0.286052D+01
               101           102           103           104           105 
      1   0.229989D+01 -0.115118D+00  0.104658D+01 -0.292442D+01  0.105261D+01
      2   0.322513D+01 -0.588596D+01  0.332482D+01 -0.621699D+01  0.759235D+01
      3   0.243318D+01 -0.222085D+01  0.297108D+01 -0.438618D+01  0.550636D+01
               106           107           108           109           110 
      1  -0.199521D+00  0.461372D+01 -0.163708D+01 -0.162534D+01 -0.237857D+01
      2  -0.546259D+01  0.608169D+01 -0.132167D+02  0.102869D+02  0.155306D+01
      3  -0.148996D+01  0.480508D+01 -0.577285D+01 -0.889046D+00 -0.636435D+01
               111           112           113           114           115 
      1  -0.725285D+00 -0.170022D+01 -0.536027D-01 -0.279123D+00 -0.515530D-01
      2   0.565559D+01  0.184403D+01 -0.536106D-01  0.179765D+01  0.667424D+00
      3   0.131980D+00 -0.233336D+01 -0.711226D+00  0.133569D+01  0.210382D+00
               116           117           118           119           120 
      1   0.844020D+00 -0.500990D+00  0.146912D+01  0.902299D+00 -0.304931D+00
      2   0.676752D+00  0.844905D+00 -0.958929D+00 -0.915174D+00 -0.139639D+01
      3   0.124272D+01 -0.637432D+00  0.261166D+01  0.116562D+01  0.122141D+00
               121           122           123           124           125 
      1   0.211250D+00  0.103701D+02  0.900809D+00 -0.326090D+00  0.405187D+01
      2  -0.152011D+01 -0.594203D+01 -0.539692D+01 -0.172832D+01 -0.221207D+01
      3   0.219694D+01  0.160414D+02  0.582029D+01 -0.436418D+00  0.410906D+01
               126           127           128           129           130 
      1   0.154870D+01  0.211401D+00 -0.552691D+00  0.221583D+01 -0.152426D-01
      2  -0.382782D+01  0.122702D+01 -0.252487D+00  0.100311D+01 -0.624897D+00
      3   0.272233D+01 -0.102041D+02  0.395760D+01  0.753224D-01  0.763901D+01
               131           132           133           134           135 
      1   0.828848D-01 -0.314230D+01 -0.693910D-01  0.207421D+01 -0.245917D-01
      2   0.573448D+00 -0.156157D+01 -0.187640D+01  0.143348D+00 -0.251823D+00
      3  -0.554932D+01 -0.666132D+00 -0.374196D+00 -0.597679D+00 -0.244368D-01
               136           137           138           139           140 
      1  -0.550535D-01  0.901136D-01 -0.156435D+01 -0.746737D-01  0.275129D+00
      2   0.477271D-01  0.268295D+00  0.146869D+01  0.259533D+00  0.153574D+01
      3  -0.748132D+00 -0.272348D+01 -0.242152D+00 -0.133199D+01 -0.139130D+02
               141           142           143           144           145 
      1  -0.442037D+01  0.705346D+00  0.197436D+01 -0.360199D+00 -0.352662D-01
      2   0.274955D+01 -0.829251D+00 -0.470880D+00  0.300337D+00  0.470312D+00
      3  -0.148498D+01 -0.131836D+00 -0.185523D+01 -0.144149D+00 -0.839976D+00
               146           147           148           149           150 
      1   0.177315D+00 -0.684862D+00  0.185011D-02  0.410798D-01 -0.497404D+00
      2  -0.530098D-02  0.598263D+01  0.856121D+00  0.194001D+00  0.842162D+00
      3  -0.538547D+01  0.204968D-01 -0.396272D+01 -0.175301D+01 -0.238442D+00
               151           152           153           154           155 
      1   0.565968D+00  0.528573D+00 -0.462193D-02  0.540075D-01 -0.265802D+00
      2  -0.341472D+01 -0.305855D+00  0.151416D+00 -0.134678D+00  0.121935D+00
      3  -0.820909D+00 -0.404478D+00  0.133855D+00  0.144520D+01 -0.486313D+01
               156           157           158           159           160 
      1   0.224114D+01  0.148511D+00  0.101787D+00 -0.331386D+01 -0.854277D+00
      2   0.288701D+01  0.530392D+00 -0.893887D+00 -0.315956D+01 -0.109211D+01
      3  -0.170581D+00 -0.340142D+01  0.110644D+02  0.844146D+00 -0.623803D+00
               161           162           163           164           165 
      1   0.164059D+01 -0.107028D+00  0.109343D+00  0.619831D-01 -0.138518D+01
      2   0.736275D+00 -0.181491D+00 -0.808812D+00 -0.634049D+00  0.396054D+00
      3   0.114389D+01 -0.272283D+00  0.605311D+01  0.382320D+01  0.578243D+00
               166           167           168           169           170 
      1  -0.319134D-01  0.374845D+00 -0.423554D+01  0.560247D+00  0.218240D+01
      2  -0.672469D+00 -0.127429D+01  0.595461D+00 -0.168697D+01 -0.141140D+00
      3   0.720377D+01  0.888388D+01  0.127522D+01  0.124534D+01  0.116797D+01
               171           172           173           174           175 
      1  -0.335063D+00  0.802161D+00  0.131057D+01  0.156968D+00  0.961490D+00
      2   0.101780D+00  0.423471D+00 -0.936417D-01  0.254590D-01  0.295207D+00
      3  -0.800808D-01  0.464431D+00 -0.219613D+01 -0.523996D+00  0.140188D+01
               176           177           178           179           180 
      1  -0.995161D+01 -0.269027D+01  0.442665D+00 -0.104313D+01 -0.157835D+01
      2  -0.732833D+00 -0.368932D+01 -0.399368D+00 -0.154378D+01 -0.647356D+00
      3   0.199867D+02 -0.340797D-01  0.581136D+00  0.365573D+01  0.189528D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.409693D+01  0.256953D+02  0.297800D+01 -0.311663D+02  0.533114D+01
      2   0.259299D+00 -0.169480D+02  0.294577D+00  0.304826D+02 -0.978738D+01
      3   0.383763D+01 -0.874730D+01 -0.327258D+01  0.683631D+00  0.445624D+01
      4   0.130514D+02  0.364002D+01  0.777425D+00 -0.579254D-01  0.939734D+01
      5   0.636755D+00  0.831749D+00  0.505934D+01 -0.316835D+01  0.490689D+01
      6  -0.754647D-01 -0.104764D+01 -0.829895D+01  0.408706D+01 -0.405615D+01
                 6             7             8             9            10 
      1   0.704379D+00 -0.455046D+01  0.214062D+01  0.132081D+01  0.155207D+02
      2  -0.778533D+00  0.574679D+01 -0.450131D+01 -0.825483D+01 -0.100061D+02
      3   0.741534D-01 -0.119633D+01  0.236070D+01  0.693402D+01 -0.551468D+01
      4   0.498049D+01 -0.171650D+01  0.457718D+01 -0.168953D+02 -0.252857D+01
      5  -0.160701D+02  0.209990D+02 -0.167352D+02 -0.540812D+01 -0.390884D+00
      6   0.493827D+01 -0.799188D+01  0.136794D+02 -0.923362D-01 -0.100197D+00
                11            12            13            14            15 
      1  -0.114234D+02 -0.374230D+00  0.864961D+00  0.830848D+01  0.226668D+01
      2   0.846920D+01 -0.557478D+00 -0.105641D+02 -0.153217D+02 -0.475267D+01
      3   0.295424D+01  0.931707D+00  0.969914D+01  0.701323D+01  0.248599D+01
      4  -0.182761D+02 -0.156140D+01  0.989967D+01 -0.153305D+02 -0.110992D+01
      5  -0.151930D+01 -0.473612D+01  0.101873D+01 -0.125960D+01 -0.425064D+00
      6  -0.667264D+00  0.593743D+01 -0.291429D+01 -0.588690D+01  0.720967D+01
                16            17            18            19            20 
      1   0.117975D+01  0.185718D+01 -0.158036D+02 -0.185892D+02 -0.547301D+01
      2  -0.299838D+01 -0.623772D+01  0.272948D+01  0.360653D+01  0.377115D+01
      3   0.181864D+01  0.438054D+01  0.130741D+02  0.149827D+02  0.170185D+01
      4  -0.979348D+00 -0.165551D+01 -0.688892D+01 -0.338738D+01  0.185442D+01
      5   0.646195D+01 -0.552482D+01 -0.162512D+01 -0.115090D+01 -0.914293D+00
      6   0.171984D+01  0.165327D+02  0.301144D+01 -0.235523D+01  0.196441D+00
                21            22            23            24            25 
      1  -0.115671D+01 -0.771568D+00 -0.104496D+02 -0.735412D+00 -0.821840D+00
      2  -0.972706D+00 -0.361723D+01  0.188969D+02  0.411419D+01 -0.193888D+01
      3   0.212942D+01  0.438880D+01 -0.844729D+01 -0.337877D+01  0.276072D+01
      4  -0.581650D+00 -0.123029D+02 -0.694710D+00  0.387387D+00 -0.313747D+01
      5   0.285747D+01 -0.444431D+01  0.478565D-01 -0.198416D+01  0.823077D+01
      6   0.240753D+01 -0.211333D+01  0.298810D+01 -0.423109D+01  0.259947D+01
                26            27            28            29            30 
      1  -0.168186D+01 -0.585285D+01 -0.288834D+01  0.185825D+02  0.202624D+01
      2   0.278731D+01 -0.593838D+01  0.207025D+01 -0.131211D+02  0.117786D+01
      3  -0.110545D+01  0.117912D+02  0.818088D+00 -0.546144D+01 -0.320410D+01
      4   0.166316D+01  0.100123D+00  0.126367D+02 -0.129195D+02 -0.571387D+00
      5  -0.101806D+00 -0.138769D+01 -0.966105D+00 -0.851065D+00 -0.316476D+01
      6   0.514194D+01 -0.148494D+01  0.108751D+01 -0.454807D+00 -0.814019D+01
                31            32            33            34            35 
      1  -0.613104D+01  0.456580D+01  0.238656D+01 -0.208099D+01  0.235925D+01
      2   0.166227D+02 -0.881553D+01 -0.150456D+01  0.493188D+01 -0.366696D+01
      3  -0.104917D+02  0.424973D+01 -0.882003D+00 -0.285089D+01  0.130771D+01
      4   0.579040D+01  0.144916D+02  0.183129D+01  0.186382D+01  0.546561D+00
      5   0.584604D+00  0.190831D+01 -0.138735D+01  0.950341D+00  0.132300D+01
      6   0.495109D+01 -0.283168D+01  0.481213D+01 -0.660336D+01  0.112717D+02
                36            37            38            39            40 
      1  -0.145496D+02  0.110686D+02 -0.231643D+02 -0.187166D+01  0.219083D+02
      2   0.235205D+01 -0.114071D+02  0.153404D+02  0.730078D-01 -0.202012D+02
      3   0.121976D+02  0.338475D+00  0.782389D+01  0.179866D+01 -0.170716D+01
      4   0.294192D+01 -0.180696D+02 -0.462815D+01 -0.147899D+01  0.132637D+02
      5  -0.447065D+00 -0.785733D+00 -0.117045D+01 -0.194150D+01 -0.796302D+00
      6   0.973400D-01 -0.239152D+01 -0.330752D+00  0.524990D+01 -0.284898D+01
                41            42            43            44            45 
      1   0.117329D+02  0.179080D+01  0.244489D+01  0.578096D+00 -0.666731D+01
      2  -0.179450D+02 -0.423552D+01 -0.418388D+01 -0.533587D+01 -0.260072D+01
      3   0.621210D+01  0.244472D+01  0.173900D+01  0.475777D+01  0.926804D+01
      4  -0.347675D+01 -0.384063D+01 -0.200577D+01 -0.549240D+01  0.159800D+02
      5  -0.360277D+01  0.134167D+02  0.134280D+02  0.160870D+02  0.513242D+01
      6  -0.656727D+01  0.875123D+01  0.703590D+01  0.173624D+02  0.216201D+01
                46            47            48            49            50 
      1  -0.930942D+01 -0.455535D+01 -0.244270D+01  0.115806D+02 -0.233756D+02
      2   0.610189D+01  0.318452D+01  0.797233D+00 -0.114011D+02  0.216483D+02
      3   0.320753D+01  0.137084D+01  0.164546D+01 -0.179430D+00  0.172729D+01
      4  -0.100357D+01  0.234257D+02  0.179613D+00 -0.227504D+02 -0.189156D+01
      5  -0.295983D+01 -0.161252D+00  0.206192D+02 -0.631596D+01 -0.156549D+01
      6   0.509082D+00  0.534000D-01  0.277084D+01 -0.176355D+01  0.299160D+01
                51            52            53            54            55 
      1  -0.434295D+01 -0.159205D+01 -0.457159D+01  0.155591D+02  0.115937D+02
      2   0.568009D+01 -0.830282D+00  0.340135D+01 -0.188845D+02 -0.331883D+01
      3  -0.133715D+01  0.242233D+01  0.117024D+01  0.332540D+01 -0.827490D+01
      4  -0.173151D+01 -0.727132D+01 -0.820113D+00  0.419309D+01  0.436873D+01
      5   0.418591D+01  0.394959D+02  0.416034D+01  0.324919D+01  0.480040D+01
      6  -0.584623D+01  0.262052D+01  0.580623D+01 -0.239430D+01 -0.550383D+00
                56            57            58            59            60 
      1  -0.999311D+00  0.585594D+00  0.184265D+02  0.680945D+01  0.587200D+01
      2  -0.201455D+00 -0.353307D+01 -0.176294D+02 -0.152227D+02 -0.871943D+01
      3   0.120077D+01  0.294747D+01 -0.797079D+00  0.841329D+01  0.284743D+01
      4  -0.754732D+01  0.254957D+01 -0.678494D+01 -0.257776D+02 -0.110932D+02
      5   0.199419D+01 -0.179541D+02  0.133458D+02 -0.938037D+01  0.105151D+02
      6  -0.153694D+01  0.190282D+01 -0.399070D+01 -0.451644D+01  0.629018D+00
                61            62            63            64            65 
      1  -0.636281D+01  0.290266D+01 -0.121091D+02  0.209209D+02 -0.213265D-01
      2  -0.169710D+01 -0.332666D+01  0.145633D+02 -0.107576D+02 -0.135932D+01
      3   0.805991D+01  0.423994D+00 -0.245416D+01 -0.101633D+02  0.138064D+01
      4   0.728380D+01 -0.106338D+02  0.313871D+01 -0.750650D+01  0.124475D+02
      5  -0.429908D+02  0.222942D+01  0.615616D+01  0.768579D+01 -0.519214D+01
      6   0.523856D+00 -0.435029D+01  0.143340D+01 -0.436528D+01  0.461125D+01
                66            67            68            69            70 
      1  -0.792505D+01 -0.114784D+02  0.897565D+01 -0.302024D+01 -0.514708D+00
      2  -0.637947D+01  0.979793D+01 -0.129119D+02  0.867376D+00 -0.100540D+02
      3   0.143045D+02  0.168043D+01  0.393621D+01  0.215286D+01  0.105687D+02
      4  -0.404471D+01  0.156607D+02  0.227355D+02  0.935397D+01 -0.399100D+01
      5   0.272931D+02 -0.854133D+01  0.108869D+02 -0.471533D+01  0.364176D+02
      6  -0.406952D+01  0.696588D+01  0.724865D+01  0.606141D+01 -0.351877D+01
                71            72            73            74            75 
      1   0.145173D+01  0.264566D+02 -0.507771D+02 -0.134904D+02  0.139550D+02
      2  -0.288384D+01 -0.104367D+02  0.233264D+02  0.470370D+01  0.303304D+00
      3   0.143211D+01 -0.160199D+02  0.274507D+02  0.878673D+01 -0.142583D+02
      4   0.882375D+01 -0.460258D+01 -0.174391D+02  0.598227D+01 -0.151321D+01
      5  -0.151624D+01  0.802141D+01  0.171014D+02  0.164889D+01  0.155996D+02
      6   0.673907D+01 -0.149486D+01  0.687631D+01 -0.531463D+01  0.301093D+01
                76            77            78            79            80 
      1  -0.161008D+02  0.125647D+02 -0.570160D+01  0.371597D+00 -0.834856D+01
      2   0.100621D+02 -0.203801D+01 -0.141994D+01  0.113363D+02  0.213632D+00
      3   0.603866D+01 -0.105267D+02  0.712154D+01 -0.117079D+02  0.813492D+01
      4   0.301790D+01  0.204701D+02  0.148128D+02 -0.374167D+01  0.135908D+02
      5   0.237067D+01  0.111270D+02 -0.553109D+01  0.267980D+02 -0.330034D+01
      6  -0.118679D+01 -0.988366D+01 -0.120953D+02  0.273540D+01 -0.933249D+01
                81            82            83            84            85 
      1   0.186001D+02  0.282356D+01 -0.688956D-01  0.123329D+02  0.396704D+01
      2  -0.148779D+02 -0.319767D+01  0.452632D+00  0.334988D+01 -0.188317D+01
      3  -0.372222D+01  0.374105D+00 -0.383736D+00 -0.156828D+02 -0.208387D+01
      4  -0.499773D+01  0.408409D+00 -0.146621D+01 -0.526582D+00  0.118108D+01
      5  -0.150939D+02  0.196029D+01  0.899841D+00 -0.652437D+01  0.276655D+00
      6   0.804553D+01  0.611067D+00 -0.158740D+01  0.104703D+01 -0.254098D+00
                86            87            88            89            90 
      1  -0.360927D+01 -0.774389D+00  0.121569D+02  0.199053D+01 -0.288872D+02
      2   0.853152D+00 -0.195437D+00 -0.186800D+01 -0.659861D+00 -0.100526D+02
      3   0.275612D+01  0.969826D+00 -0.102889D+02 -0.133067D+01  0.389399D+02
      4  -0.846015D+00  0.252932D+01 -0.237765D+01  0.315643D+01 -0.221335D+00
      5   0.181511D+01  0.760773D+00  0.153049D+01 -0.221792D+01  0.227531D+02
      6  -0.467638D+00  0.579154D+01  0.766723D+00  0.488575D+01 -0.522116D+01
                91            92            93            94            95 
      1   0.162951D+01  0.335291D+01  0.113537D+01  0.494922D+00 -0.138310D+02
      2   0.266035D+01 -0.354751D-01  0.119437D+00  0.383475D+01  0.266410D+02
      3  -0.428987D+01 -0.331743D+01 -0.125481D+01 -0.432967D+01 -0.128101D+02
      4   0.736681D+01  0.101975D+02  0.167785D+01  0.107998D+02  0.302727D+02
      5   0.160939D+01  0.166690D+01  0.521379D+01  0.964800D+00  0.466942D+01
      6   0.212092D+01  0.862997D+00  0.281464D+00  0.107501D+01  0.773359D+01
                96            97            98            99           100 
      1  -0.256064D+01  0.111706D+01 -0.257628D+01 -0.308815D+01 -0.235318D+01
      2   0.382871D+01  0.425378D+00  0.266638D+01  0.183835D+01 -0.344713D+00
      3  -0.126806D+01 -0.154244D+01 -0.900968D-01  0.124980D+01  0.269789D+01
      4   0.534149D+01  0.168926D+01  0.562185D+01  0.458891D+01  0.194409D+01
      5   0.655292D+01  0.622100D+01  0.422420D+01  0.280955D+01  0.151932D+00
      6   0.573699D+01  0.131621D+01  0.815797D+01  0.349180D+01 -0.346404D+01
               101           102           103           104           105 
      1   0.668827D+01 -0.106709D+02  0.693753D+01 -0.113641D+02  0.116665D+02
      2  -0.236367D+01 -0.406789D+00 -0.366577D+01  0.494273D+01  0.369512D+00
      3  -0.432460D+01  0.110777D+02 -0.327175D+01  0.642141D+01 -0.120361D+02
      4  -0.228889D+01  0.174923D+01  0.179668D+01  0.669892D+01 -0.888043D+01
      5  -0.781209D-01 -0.349246D+01 -0.388574D+01 -0.660231D+01  0.967323D+01
      6   0.486908D+01 -0.494187D+01  0.102757D+01 -0.102718D+02  0.129522D+02
               106           107           108           109           110 
      1  -0.604592D+01  0.100990D+02 -0.216288D+02  0.804238D+02  0.914439D+01
      2   0.880488D+00  0.334536D+00 -0.601832D+01 -0.426461D+02 -0.345141D+01
      3   0.516543D+01 -0.104335D+02  0.276471D+02 -0.377777D+02 -0.569298D+01
      4   0.182299D+00 -0.831227D+01  0.819500D+01  0.160014D+02  0.125176D+02
      5   0.430890D+01  0.663259D+01 -0.154398D+02 -0.327978D+02 -0.410443D+01
      6  -0.151198D+01  0.115329D+02 -0.139104D+02 -0.522621D+01 -0.405554D+01
               111           112           113           114           115 
      1  -0.819268D+01  0.117459D+02  0.619499D+01 -0.163364D+00  0.310397D+01
      2   0.831141D+01 -0.477601D+01 -0.214628D+01  0.138663D+01  0.689601D+00
      3  -0.118733D+00 -0.696990D+01 -0.404871D+01 -0.122327D+01 -0.379357D+01
      4  -0.235453D+01  0.136268D+02  0.441566D+01 -0.311064D+01  0.393582D+00
      5   0.159925D+02 -0.591949D+01 -0.430166D+01  0.383120D+01  0.791471D+01
      6   0.160154D+01 -0.336773D+01 -0.834634D+00  0.299466D+01  0.833970D+00
               116           117           118           119           120 
      1   0.917932D+00  0.377457D+01  0.412126D+01 -0.253543D+01 -0.399659D+01
      2   0.535708D+00 -0.313466D+01 -0.128750D+01  0.178373D+01  0.327987D+00
      3  -0.145364D+01 -0.639909D+00 -0.283375D+01  0.751702D+00  0.366860D+01
      4  -0.801590D+00  0.227186D+01 -0.168417D+01  0.100684D+01  0.619339D+00
      5   0.180361D+01 -0.183196D+01 -0.225741D+01  0.168431D+01 -0.847513D+00
      6   0.191861D+01 -0.904860D+00  0.181481D+01  0.108870D+01  0.175510D+00
               121           122           123           124           125 
      1  -0.587705D+01 -0.899787D+01 -0.432311D+01 -0.183226D+01 -0.316556D+01
      2   0.360122D+01  0.801769D+01 -0.184885D+01  0.972643D+00 -0.792786D+00
      3   0.227583D+01  0.980181D+00  0.617196D+01  0.859621D+00  0.395835D+01
      4   0.624052D+01 -0.273186D+02 -0.107463D+02  0.132632D+01 -0.743672D+01
      5   0.765557D+01 -0.918422D+01 -0.117671D+02  0.197383D+01 -0.475484D+01
      6  -0.179282D+01  0.189152D+02  0.111584D+02 -0.106406D+01  0.958237D+01
               126           127           128           129           130 
      1  -0.681913D+01 -0.456056D+01  0.682001D+01  0.554559D+00  0.757979D+01
      2  -0.399783D+00  0.634928D+01 -0.101071D+02 -0.598245D+00 -0.108763D+02
      3   0.721891D+01 -0.178872D+01  0.328704D+01  0.436865D-01  0.329656D+01
      4  -0.506016D+01 -0.851819D+01  0.854372D+01  0.478588D+00  0.851307D+01
      5  -0.583154D+01 -0.517053D+00  0.393672D+00  0.220926D+01  0.278260D+00
      6   0.527309D+01  0.372993D+00 -0.916568D+00 -0.187116D+01 -0.127084D+01
               131           132           133           134           135 
      1  -0.207062D+02 -0.210996D+01  0.560395D+00 -0.164041D+01 -0.275498D+00
      2   0.282894D+02  0.177798D+01 -0.978726D+00  0.217358D+01  0.948632D+00
      3  -0.758326D+01  0.331975D+00  0.418331D+00 -0.533172D+00 -0.673134D+00
      4  -0.894000D+01 -0.540838D+00  0.829622D+00 -0.524212D+00 -0.179779D+01
      5  -0.796047D+00 -0.180004D+01  0.551076D+00 -0.446014D+00 -0.513906D+00
      6   0.253362D+01  0.486420D+01 -0.748941D-01  0.133781D+01  0.689457D+00
               136           137           138           139           140 
      1   0.521514D+01  0.420242D+01  0.457814D+00 -0.112484D+01 -0.165501D+02
      2   0.377253D+01  0.605491D+01  0.295993D+00  0.124554D+02  0.403743D+02
      3  -0.898767D+01 -0.102573D+02 -0.753806D+00 -0.113305D+02 -0.238243D+02
      4   0.181092D+02  0.232630D+02  0.266011D+01  0.247715D+02  0.477614D+02
      5   0.227501D+01  0.259383D+01  0.381059D+01  0.290410D+01  0.515828D+01
      6   0.175444D+01  0.214420D+01  0.217569D+01  0.301963D+01  0.730475D+01
               141           142           143           144           145 
      1  -0.202480D+01 -0.488686D-01 -0.174248D+01 -0.115861D+01  0.979682D+02
      2   0.330066D+01  0.143112D+01  0.446919D+01  0.212483D+01 -0.548116D+02
      3  -0.127586D+01 -0.138225D+01 -0.272671D+01 -0.966227D+00 -0.431566D+02
      4   0.539596D+01  0.332667D+01  0.636425D+01  0.163585D+01  0.155887D+02
      5   0.455311D+01  0.886282D+00  0.107129D+01  0.842509D+00  0.490784D+01
      6   0.746253D+01  0.119485D+01  0.233010D+01  0.150476D+01 -0.932103D+00
               146           147           148           149           150 
      1   0.979474D+01  0.318616D+01  0.909644D+01  0.970241D+01  0.106726D+01
      2  -0.476287D+01 -0.214731D+01 -0.392346D+01 -0.429929D+01 -0.893280D+00
      3  -0.503188D+01 -0.103885D+01 -0.517299D+01 -0.540312D+01 -0.173976D+00
      4   0.100483D+02  0.445768D+00  0.163795D+02  0.505830D+01  0.829447D+00
      5   0.437391D+00  0.962139D+01  0.216887D+01  0.816317D+00  0.123414D+01
      6   0.149248D+00  0.815946D+00  0.463483D+00 -0.550046D-02  0.179357D+01
               151           152           153           154           155 
      1   0.410474D+01  0.115058D+01  0.194112D+01  0.222537D+02 -0.138271D+02
      2  -0.222419D+01 -0.584556D+00 -0.102181D+01 -0.374755D+01 -0.129482D+01
      3  -0.188055D+01 -0.566019D+00 -0.919309D+00 -0.185061D+02  0.151219D+02
      4   0.240407D+01  0.945681D+00  0.366931D+00 -0.334725D+02  0.305513D+02
      5   0.435369D+00  0.110729D+00  0.567391D+00 -0.338172D+01  0.246943D+01
      6   0.179309D-01  0.523355D+00  0.277537D+00  0.133330D+01 -0.115467D+01
               156           157           158           159           160 
      1  -0.135163D+01 -0.956185D+01  0.380585D+01  0.382852D+00 -0.436026D+00
      2   0.435240D+00 -0.673222D+01  0.170508D+02  0.450545D+00 -0.831150D+00
      3   0.916392D+00  0.162941D+02 -0.208566D+02 -0.833397D+00  0.126718D+01
      4   0.226631D+01  0.345268D+02 -0.443428D+02 -0.383665D+01  0.323124D+01
      5   0.564677D+01  0.356769D+01 -0.409283D+01 -0.482034D+01  0.129269D+01
      6  -0.289541D+01 -0.223233D+01  0.302833D+01  0.548638D+01 -0.993681D+00
               161           162           163           164           165 
      1   0.269872D-01 -0.375426D-01 -0.509726D+01 -0.907350D+01 -0.133475D+01
      2   0.161377D+01  0.976818D+00  0.677817D+01  0.114161D+02  0.105772D+01
      3  -0.164076D+01 -0.939275D+00 -0.168090D+01 -0.234262D+01  0.277033D+00
      4  -0.389763D+01 -0.144541D+01  0.346869D+01  0.732265D+01  0.684676D+00
      5  -0.120381D+01 -0.567453D+00  0.443268D+00  0.505762D+00  0.155355D+01
      6   0.151952D+01  0.854002D+00  0.123968D+01  0.201859D+01  0.183020D+01
               166           167           168           169           170 
      1  -0.714154D+01 -0.340713D+02 -0.416835D+01 -0.129392D+01 -0.460318D+01
      2   0.898032D+01  0.467262D+02  0.412760D+01  0.166778D+01  0.595328D+01
      3  -0.183878D+01 -0.126549D+02  0.407543D-01 -0.373855D+00 -0.135010D+01
      4   0.525232D+01 -0.106124D+01 -0.439075D+00  0.799904D+00  0.503056D-01
      5   0.694357D+00 -0.655545D+00  0.244674D+00  0.101553D+00  0.639966D+00
      6   0.142157D+01  0.718393D+01  0.703218D+01  0.335881D+00  0.209457D+01
               171           172           173           174           175 
      1  -0.132553D+01  0.647675D+01 -0.287707D-01  0.336855D+01 -0.305850D+01
      2   0.218735D+01 -0.457192D+01 -0.134109D+01 -0.258022D+01 -0.947344D+00
      3  -0.861817D+00 -0.190483D+01  0.136986D+01 -0.788324D+00  0.400585D+01
      4   0.125327D+01  0.380247D+00  0.512080D+01  0.109237D+01  0.793351D+01
      5   0.279440D+00  0.458292D+01  0.141348D+01  0.220896D+01 -0.275857D+01
      6   0.144111D+01  0.174032D+01  0.107230D+01  0.101027D+01  0.167163D+01
               176           177           178           179           180 
      1  -0.756672D+01  0.208880D+01 -0.910777D-01  0.115643D+01 -0.213242D+01
      2   0.201080D+02  0.184280D+01 -0.110904D+01  0.214189D+01  0.121641D+01
      3  -0.125413D+02 -0.393160D+01  0.120012D+01 -0.329833D+01  0.916015D+00
      4  -0.319069D+02  0.814537D+00  0.189014D+01 -0.576573D+01 -0.275639D+01
      5   0.104743D+00 -0.646718D+01  0.175119D+01 -0.276637D+01 -0.717139D+00
      6  -0.120578D+02  0.352288D+01 -0.227133D+00  0.206185D+01 -0.230256D+00
 Leave Link  716 at Thu Aug 12 23:01:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136758D+03 -0.285206D+00  0.947457D+00
      2  -0.285206D+00  0.108796D+03  0.254840D+01
      3   0.947457D+00  0.254840D+01  0.790246D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.698592D+00  0.286194D+01  0.177439D+01
      2   0.493339D+00  0.801610D+01 -0.163923D+02
      3  -0.516309D+01 -0.365143D+02 -0.794424D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.674510D+02  0.556027D+00 -0.530219D+00
      2  -0.128293D+02  0.301520D+00 -0.530709D+01
      3  -0.546217D+02 -0.857547D+00  0.583730D+01
      4   0.269520D+01  0.760033D+02  0.178456D+02
      5   0.105977D+02  0.178366D+02 -0.423676D+02
      6   0.688324D+01  0.724649D+01 -0.293478D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.295627D+01 -0.976207D+00 -0.328128D+00 -0.624227D+01 -0.958654D+00
      2  -0.976207D+00  0.375545D+01  0.350794D+00 -0.958654D+00 -0.646302D+00
      3  -0.328128D+00  0.350794D+00  0.181426D+01 -0.519320D+00  0.664904D+00
                 6             7             8             9            10 
      1  -0.519320D+00 -0.121392D+01 -0.364070D+00  0.304553D+01  0.612456D+01
      2   0.664904D+00 -0.364070D+00  0.100008D+01 -0.366636D+01  0.265695D+01
      3  -0.233718D+01  0.304553D+01 -0.366636D+01 -0.999296D+00  0.799447D+00
                11            12            13            14            15 
      1   0.265695D+01  0.799447D+00 -0.768253D+01 -0.271486D+00 -0.104689D+00
      2  -0.289332D+01  0.293254D-02 -0.271486D+00 -0.176955D+01  0.570162D+00
      3   0.293254D-02 -0.128501D+01 -0.104689D+00  0.570162D+00 -0.246458D+01
                16            17            18            19            20 
      1  -0.927955D+00  0.596659D+00 -0.137990D+01 -0.183108D+02 -0.123498D+01
      2   0.596659D+00  0.719090D+00 -0.407673D+01 -0.123498D+01 -0.222954D+01
      3  -0.137990D+01 -0.407673D+01 -0.151696D+01 -0.344638D+00  0.317828D-01
                21            22            23            24            25 
      1  -0.344638D+00 -0.208494D+01  0.203722D+01  0.894492D+00 -0.376678D+00
      2   0.317828D-01  0.203722D+01 -0.514243D+00 -0.334553D-01  0.619440D+00
      3  -0.249902D+01  0.894492D+00 -0.334553D-01  0.320196D+00 -0.414922D+01
                26            27            28            29            30 
      1   0.619440D+00 -0.414922D+01  0.454440D+01 -0.752284D+00  0.484231D+00
      2  -0.352623D+00 -0.437714D+00 -0.752284D+00 -0.398097D+01 -0.337297D+00
      3  -0.437714D+00 -0.154696D-01  0.484231D+00 -0.337297D+00 -0.185278D+01
                31            32            33            34            35 
      1   0.873589D+01 -0.299818D+00  0.389594D+00  0.133949D+01  0.558319D-01
      2  -0.299818D+00  0.842069D+00 -0.509591D+00  0.558319D-01 -0.777540D+00
      3   0.389594D+00 -0.509591D+00  0.177101D+01 -0.179295D+01  0.324827D+01
                36            37            38            39            40 
      1  -0.179295D+01 -0.523005D+01 -0.620506D+00 -0.438234D+00  0.607492D+01
      2   0.324827D+01 -0.620506D+00  0.240923D+01  0.417383D-02  0.228855D+00
      3   0.794341D+00 -0.438234D+00  0.417383D-02  0.893762D+00 -0.379174D-01
                41            42            43            44            45 
      1   0.228855D+00 -0.379174D-01  0.432014D+00 -0.394474D+00  0.208619D+01
      2   0.156770D+01 -0.666425D+00 -0.394474D+00 -0.752911D+00  0.424196D+01
      3  -0.666425D+00  0.268820D+01  0.208619D+01  0.424196D+01  0.141923D+01
                46            47            48            49            50 
      1   0.723571D+01  0.359875D+00  0.290173D-01  0.614109D+00 -0.733410D+00
      2   0.359875D+00  0.340906D+01  0.159308D-02 -0.733410D+00 -0.227438D+00
      3   0.290173D-01  0.159308D-02  0.334576D+01 -0.889487D+00 -0.205075D+00
                51            52            53            54            55 
      1  -0.889487D+00 -0.193044D+00 -0.725805D+00  0.573874D+01  0.304922D+01
      2  -0.205075D+00 -0.725805D+00 -0.526303D-01  0.688904D+00 -0.106756D+00
      3   0.402232D+00  0.573874D+01  0.688904D+00  0.627564D+00 -0.109097D+01
                56            57            58            59            60 
      1  -0.106756D+00 -0.109097D+01 -0.462994D+01  0.114478D+01 -0.157725D+01
      2  -0.186764D+00 -0.867947D+00  0.114478D+01  0.624263D+01  0.219494D+01
      3  -0.867947D+00  0.329976D+01 -0.157725D+01  0.219494D+01 -0.152823D+01
                61            62            63            64            65 
      1  -0.202933D+00 -0.888915D+00  0.647134D+01 -0.279110D+01  0.120275D+01
      2  -0.888915D+00  0.147206D+01 -0.333112D+00  0.120275D+01  0.101788D+00
      3   0.647134D+01 -0.333112D+00 -0.192622D+01 -0.782502D+00  0.990129D+00
                66            67            68            69            70 
      1  -0.782502D+00  0.401465D+01 -0.128067D+01  0.780224D+00 -0.255666D+01
      2   0.990129D+00 -0.128067D+01 -0.476430D+01 -0.144112D+01  0.575400D+00
      3  -0.446370D+01  0.780224D+00 -0.144112D+01  0.541326D+00 -0.530781D+01
                71            72            73            74            75 
      1   0.575400D+00 -0.530781D+01  0.827614D+01  0.209788D+01 -0.456694D+00
      2  -0.673781D+00  0.207007D+00  0.209788D+01 -0.104082D+01  0.735518D+00
      3   0.207007D+00  0.229544D+01 -0.456694D+00  0.735518D+00 -0.374931D+01
                76            77            78            79            80 
      1   0.347134D+01 -0.688675D+00  0.583839D+00  0.435776D+01  0.915446D+00
      2  -0.688675D+00 -0.373881D+01 -0.331384D+01  0.915446D+00 -0.263014D+01
      3   0.583839D+00 -0.331384D+01  0.206553D+01 -0.486445D+01  0.135928D+01
                81            82            83            84            85 
      1  -0.486445D+01 -0.211196D+00 -0.122969D+00 -0.722137D+00 -0.891364D+00
      2   0.135928D+01 -0.122969D+00  0.233104D+00 -0.176786D+00 -0.614418D-01
      3   0.119165D+01 -0.722137D+00 -0.176786D+00  0.294758D+01  0.922362D-01
                86            87            88            89            90 
      1  -0.614418D-01  0.922362D-01 -0.182759D+01  0.933170D-01  0.111895D+01
      2   0.647767D-01 -0.778631D+00  0.933170D-01 -0.114705D+01  0.622318D+00
      3  -0.778631D+00 -0.495936D+00  0.111895D+01  0.622318D+00 -0.798034D+01
                91            92            93            94            95 
      1   0.114485D-01 -0.123924D+01 -0.228507D+00 -0.216973D+01 -0.156517D+01
      2  -0.123924D+01 -0.986329D+00 -0.157276D+00 -0.156517D+01 -0.705810D+01
      3  -0.228507D+00 -0.157276D+00 -0.686442D+00 -0.134474D+00 -0.122973D+01
                96            97            98            99           100 
      1  -0.134474D+00 -0.224185D+00 -0.160550D+00 -0.971136D+00  0.342736D+00
      2  -0.122973D+01 -0.160550D+00 -0.133137D+01 -0.112024D+01 -0.780301D+00
      3  -0.150333D+01 -0.971136D+00 -0.112024D+01 -0.808877D+00  0.794682D+00
               101           102           103           104           105 
      1  -0.780301D+00  0.794682D+00 -0.129367D+01  0.196408D+00 -0.109963D+00
      2   0.906774D+00 -0.819034D+00  0.196408D+00 -0.192355D+01  0.223859D+01
      3  -0.819034D+00  0.228652D+01 -0.109963D+00  0.223859D+01 -0.297774D+01
               106           107           108           109           110 
      1   0.704841D+00 -0.320235D+00  0.505527D+00 -0.131915D+02 -0.161089D+01
      2  -0.320235D+00  0.197779D+01 -0.213588D+01 -0.161089D+01 -0.117201D+01
      3   0.505527D+00 -0.213588D+01  0.514358D+01  0.212096D+01  0.223916D+00
               111           112           113           114           115 
      1   0.212096D+01 -0.239031D+01 -0.144052D+01  0.446121D+00 -0.651332D+00
      2   0.223916D+00 -0.144052D+01 -0.413244D+00  0.533055D+00 -0.394362D-01
      3  -0.162160D+01  0.446121D+00  0.533055D+00 -0.646862D+00 -0.632990D+00
               116           117           118           119           120 
      1  -0.394362D-01 -0.632990D+00 -0.501726D+00  0.572982D+00  0.202907D+00
      2   0.656237D-01 -0.310065D+00  0.572982D+00  0.253077D+00  0.138650D-01
      3  -0.310065D+00  0.212588D-01  0.202907D+00  0.138650D-01  0.682681D+00
               121           122           123           124           125 
      1   0.184408D+01 -0.536113D+00 -0.781254D+00  0.298048D+00 -0.236821D+00
      2  -0.536113D+00  0.541875D+01  0.216474D+01 -0.236821D+00  0.151618D+01
      3  -0.781254D+00  0.216474D+01  0.246690D+01  0.111494D+00  0.106097D+01
               126           127           128           129           130 
      1   0.111494D+00 -0.342208D+01  0.230236D+01  0.115455D+00  0.276233D+01
      2   0.106097D+01  0.230236D+01 -0.243271D+01 -0.157903D+00 -0.288489D+01
      3   0.158053D+01  0.115455D+00 -0.157903D+00 -0.282762D+00 -0.227203D+00
               131           132           133           134           135 
      1  -0.288489D+01 -0.227203D+00  0.204453D+00 -0.274983D+00  0.119018D+00
      2   0.574902D+01  0.457769D+00 -0.274983D+00  0.515867D+00  0.479108D-01
      3   0.457769D+00  0.706502D+00  0.119018D+00  0.479108D-01  0.831758D-01
               136           137           138           139           140 
      1   0.216634D+01  0.257529D+01  0.332982D+00  0.230639D+01  0.386046D+01
      2   0.257529D+01  0.283002D+01  0.359724D+00  0.386046D+01  0.955755D+01
      3   0.332982D+00  0.359724D+00  0.343204D+00  0.492220D+00  0.111412D+01
               141           142           143           144           145 
      1   0.492220D+00  0.493903D+00  0.544890D+00  0.702385D-01  0.129572D+02
      2   0.111412D+01  0.544890D+00  0.125492D+01  0.696852D-01  0.143228D+01
      3   0.915068D+00  0.702385D-01  0.696852D-01  0.100413D+00  0.494442D+00
               146           147           148           149           150 
      1   0.143228D+01  0.494442D+00  0.143539D+01  0.173037D+01  0.257993D+00
      2   0.888150D+00  0.497288D-01  0.173037D+01  0.530826D+00  0.891731D-01
      3   0.497288D-01  0.822081D+00  0.257993D+00  0.891731D-01  0.129852D+00
               151           152           153           154           155 
      1   0.544200D+00  0.251613D+00 -0.197230D+00  0.500214D+01 -0.392717D+01
      2   0.251613D+00  0.578704D-01  0.552280D-02 -0.392717D+01  0.354613D+01
      3  -0.197230D+00  0.552280D-02  0.342754D-01 -0.330120D+00  0.258982D+00
               156           157           158           159           160 
      1  -0.330120D+00 -0.387321D+01  0.453854D+01  0.444118D+00 -0.312388D+00
      2   0.258982D+00  0.453854D+01 -0.660105D+01 -0.591568D+00  0.414108D+00
      3   0.520945D+00  0.444118D+00 -0.591568D+00 -0.733240D+00  0.573688D-01
               161           162           163           164           165 
      1   0.414108D+00  0.573688D-01 -0.145685D+01 -0.172464D+01 -0.241819D+00
      2  -0.725731D+00  0.366561D-01 -0.172464D+01 -0.225435D+01 -0.302602D+00
      3   0.366561D-01 -0.405863D-01 -0.241819D+00 -0.302602D+00 -0.182209D+00
               166           167           168           169           170 
      1  -0.161476D+01 -0.194341D+01 -0.275793D+00 -0.636796D-01 -0.365290D+00
      2  -0.194341D+01 -0.878384D+01 -0.101419D+01 -0.365290D+00 -0.119479D+01
      3  -0.275793D+00 -0.101419D+01 -0.900310D+00  0.120450D+00 -0.136314D+00
               171           172           173           174           175 
      1   0.120450D+00 -0.163824D+01 -0.104419D+00 -0.410376D+00  0.161364D+01
      2  -0.136314D+00 -0.104419D+00 -0.115597D+01 -0.204294D+00 -0.107238D+01
      3  -0.838183D-01 -0.410376D+00 -0.204294D+00 -0.333729D+00  0.276513D+00
               176           177           178           179           180 
      1  -0.107238D+01  0.276513D+00  0.175660D+00 -0.296124D+00 -0.149169D+00
      2   0.646710D+01 -0.243822D+00 -0.296124D+00  0.105907D+01  0.627930D+00
      3  -0.243822D+00  0.158059D+01 -0.149169D+00  0.627930D+00  0.800999D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.874987D+00 -0.623968D+00  0.308570D+01 -0.127014D+01 -0.331316D+00
      2  -0.470654D-01  0.854926D+00  0.256703D+01 -0.172864D+00  0.212430D+01
      3   0.648534D+01 -0.984242D+01 -0.546735D+00  0.870084D+01  0.285324D+01
                 6             7             8             9            10 
      1  -0.220326D+01  0.686111D+01  0.385855D+01  0.443648D+00  0.111048D+01
      2  -0.743906D+01 -0.351215D+01 -0.106349D+02 -0.253400D+01  0.708260D+00
      3  -0.942366D+00  0.443614D+00 -0.158702D+01  0.549633D+01 -0.100749D+02
                11            12            13            14            15 
      1   0.836211D+00 -0.250811D+01  0.415230D+00  0.553498D+00 -0.313812D+01
      2   0.848058D+00 -0.164669D+01  0.158988D+01 -0.438219D+00 -0.128888D+01
      3  -0.409277D+01 -0.155211D+01  0.464032D+01  0.681675D+01  0.161360D-01
                16            17            18            19            20 
      1  -0.491002D+01  0.420715D+00 -0.589680D+00 -0.158535D+01 -0.125894D+00
      2  -0.123697D+02 -0.200350D+01 -0.114320D+01 -0.310168D+01  0.680164D-01
      3  -0.115315D+00 -0.217346D+00  0.562374D+01  0.550385D+01  0.739928D+01
                21            22            23            24            25 
      1  -0.545596D-01 -0.102804D+01 -0.211210D+01  0.140175D+01 -0.644174D+00
      2  -0.195412D+01 -0.684184D+00  0.819692D+00 -0.921049D+00 -0.180506D+02
      3   0.721903D+00  0.189520D+02  0.125329D+01  0.903052D-01 -0.152247D+01
                26            27            28            29            30 
      1   0.106676D+02  0.192912D+01  0.139186D+00 -0.489988D+00  0.318592D+01
      2   0.155661D+00 -0.202530D+01  0.528953D+00  0.181062D+00 -0.137479D+01
      3  -0.626797D+00  0.846948D+00 -0.195354D+01  0.162107D+01  0.492358D+00
                31            32            33            34            35 
      1   0.314597D+00  0.154316D+00 -0.179942D+01  0.700178D+01  0.328422D+01
      2   0.182421D+01  0.257006D+00  0.105697D+01 -0.120926D+02  0.437518D+00
      3  -0.175337D+01 -0.710469D+01 -0.349737D+00 -0.667096D+00  0.794429D+00
                36            37            38            39            40 
      1   0.260982D+00 -0.417092D+00  0.848198D+00 -0.229750D+01  0.798473D+00
      2   0.427291D+00 -0.238641D+00  0.123694D+01 -0.136242D+00  0.607534D+00
      3  -0.631862D+01  0.585584D+01 -0.150580D+02 -0.143606D+01  0.362577D+01
                41            42            43            44            45 
      1   0.154444D+00 -0.408276D+01 -0.553358D+01  0.478044D+00 -0.722742D+00
      2  -0.179797D+01  0.650583D+01 -0.824054D+01  0.979901D+01  0.244618D+01
      3  -0.765624D+00  0.128960D+01  0.375425D+00  0.154570D+01 -0.481736D+01
                46            47            48            49            50 
      1   0.454495D+00 -0.232095D+00 -0.114306D+01 -0.889420D-01 -0.123734D+01
      2  -0.621820D-01 -0.292522D+00  0.909422D+01 -0.305177D+01 -0.235002D+00
      3  -0.428399D+01 -0.689263D+01  0.150077D+00  0.117394D+02 -0.407226D+01
                51            52            53            54            55 
      1   0.314068D+01 -0.223141D+01  0.115374D+02  0.171086D+01 -0.596663D+00
      2   0.184393D+01  0.915782D+01  0.261224D+01  0.141910D+01  0.578731D+01
      3   0.204479D+00  0.198031D+01  0.275224D+00 -0.171121D+01 -0.445289D+01
                56            57            58            59            60 
      1  -0.472929D+00  0.348860D+00  0.138427D+01  0.188505D+01 -0.284454D+01
      2   0.139118D+01 -0.397944D+01 -0.493335D+00 -0.549279D+01  0.273987D+01
      3   0.131665D+01 -0.104791D+01  0.113804D+02  0.128597D+02  0.635812D+01
                61            62            63            64            65 
      1   0.143879D+01  0.181032D+01 -0.144893D+01 -0.566320D+00  0.281317D+01
      2  -0.163200D+02  0.740048D+00  0.305105D+01 -0.211833D+01 -0.176155D+01
      3   0.657385D+00  0.666726D+01 -0.487280D+01  0.682359D+01 -0.973905D+01
                66            67            68            69            70 
      1   0.130833D+01 -0.305704D+00  0.826278D+01 -0.193618D+01 -0.473447D+00
      2   0.192034D+02  0.107620D+01  0.269342D+01 -0.399889D+00  0.849354D+01
      3   0.366075D+01 -0.214355D+01 -0.165451D+02 -0.395835D+01  0.141860D+01
                71            72            73            74            75 
      1   0.521456D+01 -0.303801D+01  0.301856D+01 -0.250333D+01  0.483848D+00
      2   0.831580D+00 -0.126594D+02 -0.121662D+02 -0.476651D+01  0.139952D+02
      3  -0.524549D+01 -0.626178D+00  0.580877D+01 -0.717034D+01  0.111313D+01
                76            77            78            79            80 
      1  -0.232911D+00 -0.689784D+01 -0.806226D+01 -0.116934D+01 -0.355886D+01
      2  -0.323577D+01  0.107211D+02 -0.612984D+01  0.907955D+01 -0.455158D+01
      3  -0.101567D+01 -0.122262D+02 -0.105185D+02 -0.618559D+00 -0.102689D+02
                81            82            83            84            85 
      1   0.432830D+01 -0.139871D+00 -0.162837D+01 -0.148418D+01 -0.719301D+00
      2   0.328749D+01  0.455318D+01  0.458065D-01 -0.849207D+01 -0.176102D+01
      3   0.631850D+01 -0.807516D+00  0.867857D+00 -0.387869D+00  0.128244D+01
                86            87            88            89            90 
      1  -0.140353D+00  0.785794D-02 -0.842332D+00  0.281945D+01  0.227156D+01
      2   0.152568D+01  0.122581D+01 -0.888729D+01 -0.178815D+01  0.224309D+02
      3   0.572382D+00 -0.116159D+01 -0.381587D+00 -0.174214D+01  0.336570D+01
                91            92            93            94            95 
      1  -0.144647D+00 -0.661117D-01 -0.759455D+00 -0.287994D+00  0.118473D+00
      2   0.269722D+00  0.201063D+00  0.210298D+01  0.848890D-02  0.263326D+01
      3  -0.379716D+01 -0.265800D+01 -0.213020D+00  0.258944D+01 -0.134461D+02
                96            97            98            99           100 
      1  -0.337401D+01 -0.410783D+00  0.100274D+01 -0.871000D+00 -0.132816D+01
      2   0.303649D+01  0.183059D+00  0.157882D+01  0.155650D+01 -0.419352D+01
      3  -0.291607D+01  0.269960D+00 -0.286197D+01 -0.112528D+01 -0.286052D+01
               101           102           103           104           105 
      1   0.229989D+01 -0.115118D+00  0.104658D+01 -0.292442D+01  0.105261D+01
      2   0.322513D+01 -0.588596D+01  0.332482D+01 -0.621699D+01  0.759235D+01
      3   0.243318D+01 -0.222085D+01  0.297108D+01 -0.438618D+01  0.550636D+01
               106           107           108           109           110 
      1  -0.199521D+00  0.461372D+01 -0.163708D+01 -0.162534D+01 -0.237857D+01
      2  -0.546259D+01  0.608169D+01 -0.132167D+02  0.102869D+02  0.155306D+01
      3  -0.148996D+01  0.480508D+01 -0.577285D+01 -0.889046D+00 -0.636435D+01
               111           112           113           114           115 
      1  -0.725285D+00 -0.170022D+01 -0.536027D-01 -0.279123D+00 -0.515530D-01
      2   0.565559D+01  0.184403D+01 -0.536106D-01  0.179765D+01  0.667424D+00
      3   0.131980D+00 -0.233336D+01 -0.711226D+00  0.133569D+01  0.210382D+00
               116           117           118           119           120 
      1   0.844020D+00 -0.500990D+00  0.146912D+01  0.902299D+00 -0.304931D+00
      2   0.676752D+00  0.844905D+00 -0.958929D+00 -0.915174D+00 -0.139639D+01
      3   0.124272D+01 -0.637432D+00  0.261166D+01  0.116562D+01  0.122141D+00
               121           122           123           124           125 
      1   0.211250D+00  0.103701D+02  0.900809D+00 -0.326090D+00  0.405187D+01
      2  -0.152011D+01 -0.594203D+01 -0.539692D+01 -0.172832D+01 -0.221207D+01
      3   0.219694D+01  0.160414D+02  0.582029D+01 -0.436418D+00  0.410906D+01
               126           127           128           129           130 
      1   0.154870D+01  0.211401D+00 -0.552691D+00  0.221583D+01 -0.152426D-01
      2  -0.382782D+01  0.122702D+01 -0.252487D+00  0.100311D+01 -0.624897D+00
      3   0.272233D+01 -0.102041D+02  0.395760D+01  0.753224D-01  0.763901D+01
               131           132           133           134           135 
      1   0.828848D-01 -0.314230D+01 -0.693910D-01  0.207421D+01 -0.245917D-01
      2   0.573448D+00 -0.156157D+01 -0.187640D+01  0.143348D+00 -0.251823D+00
      3  -0.554932D+01 -0.666132D+00 -0.374196D+00 -0.597679D+00 -0.244368D-01
               136           137           138           139           140 
      1  -0.550535D-01  0.901136D-01 -0.156435D+01 -0.746737D-01  0.275129D+00
      2   0.477271D-01  0.268295D+00  0.146869D+01  0.259533D+00  0.153574D+01
      3  -0.748132D+00 -0.272348D+01 -0.242152D+00 -0.133199D+01 -0.139130D+02
               141           142           143           144           145 
      1  -0.442037D+01  0.705346D+00  0.197436D+01 -0.360199D+00 -0.352662D-01
      2   0.274955D+01 -0.829251D+00 -0.470880D+00  0.300337D+00  0.470312D+00
      3  -0.148498D+01 -0.131836D+00 -0.185523D+01 -0.144149D+00 -0.839976D+00
               146           147           148           149           150 
      1   0.177315D+00 -0.684862D+00  0.185011D-02  0.410798D-01 -0.497404D+00
      2  -0.530098D-02  0.598263D+01  0.856121D+00  0.194001D+00  0.842162D+00
      3  -0.538547D+01  0.204968D-01 -0.396272D+01 -0.175301D+01 -0.238442D+00
               151           152           153           154           155 
      1   0.565968D+00  0.528573D+00 -0.462193D-02  0.540075D-01 -0.265802D+00
      2  -0.341472D+01 -0.305855D+00  0.151416D+00 -0.134678D+00  0.121935D+00
      3  -0.820909D+00 -0.404478D+00  0.133855D+00  0.144520D+01 -0.486313D+01
               156           157           158           159           160 
      1   0.224114D+01  0.148511D+00  0.101787D+00 -0.331386D+01 -0.854277D+00
      2   0.288701D+01  0.530392D+00 -0.893887D+00 -0.315956D+01 -0.109211D+01
      3  -0.170581D+00 -0.340142D+01  0.110644D+02  0.844146D+00 -0.623803D+00
               161           162           163           164           165 
      1   0.164059D+01 -0.107028D+00  0.109343D+00  0.619831D-01 -0.138518D+01
      2   0.736275D+00 -0.181491D+00 -0.808812D+00 -0.634049D+00  0.396054D+00
      3   0.114389D+01 -0.272283D+00  0.605311D+01  0.382320D+01  0.578243D+00
               166           167           168           169           170 
      1  -0.319134D-01  0.374845D+00 -0.423554D+01  0.560247D+00  0.218240D+01
      2  -0.672469D+00 -0.127429D+01  0.595461D+00 -0.168697D+01 -0.141140D+00
      3   0.720377D+01  0.888388D+01  0.127522D+01  0.124534D+01  0.116797D+01
               171           172           173           174           175 
      1  -0.335063D+00  0.802161D+00  0.131057D+01  0.156968D+00  0.961490D+00
      2   0.101780D+00  0.423471D+00 -0.936417D-01  0.254590D-01  0.295207D+00
      3  -0.800808D-01  0.464431D+00 -0.219613D+01 -0.523996D+00  0.140188D+01
               176           177           178           179           180 
      1  -0.995161D+01 -0.269027D+01  0.442665D+00 -0.104313D+01 -0.157835D+01
      2  -0.732833D+00 -0.368932D+01 -0.399368D+00 -0.154378D+01 -0.647356D+00
      3   0.199867D+02 -0.340797D-01  0.581136D+00  0.365573D+01  0.189528D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.409693D+01  0.256953D+02  0.297800D+01 -0.311663D+02  0.533114D+01
      2   0.259299D+00 -0.169480D+02  0.294577D+00  0.304826D+02 -0.978738D+01
      3   0.383763D+01 -0.874730D+01 -0.327258D+01  0.683631D+00  0.445624D+01
      4   0.130514D+02  0.364002D+01  0.777425D+00 -0.579254D-01  0.939734D+01
      5   0.636755D+00  0.831749D+00  0.505934D+01 -0.316835D+01  0.490689D+01
      6  -0.754647D-01 -0.104764D+01 -0.829895D+01  0.408706D+01 -0.405615D+01
                 6             7             8             9            10 
      1   0.704379D+00 -0.455046D+01  0.214062D+01  0.132081D+01  0.155207D+02
      2  -0.778533D+00  0.574679D+01 -0.450131D+01 -0.825483D+01 -0.100061D+02
      3   0.741534D-01 -0.119633D+01  0.236070D+01  0.693402D+01 -0.551468D+01
      4   0.498049D+01 -0.171650D+01  0.457718D+01 -0.168953D+02 -0.252857D+01
      5  -0.160701D+02  0.209990D+02 -0.167352D+02 -0.540812D+01 -0.390884D+00
      6   0.493827D+01 -0.799188D+01  0.136794D+02 -0.923362D-01 -0.100197D+00
                11            12            13            14            15 
      1  -0.114234D+02 -0.374230D+00  0.864961D+00  0.830848D+01  0.226668D+01
      2   0.846920D+01 -0.557478D+00 -0.105641D+02 -0.153217D+02 -0.475267D+01
      3   0.295424D+01  0.931707D+00  0.969914D+01  0.701323D+01  0.248599D+01
      4  -0.182761D+02 -0.156140D+01  0.989967D+01 -0.153305D+02 -0.110992D+01
      5  -0.151930D+01 -0.473612D+01  0.101873D+01 -0.125960D+01 -0.425064D+00
      6  -0.667264D+00  0.593743D+01 -0.291429D+01 -0.588690D+01  0.720967D+01
                16            17            18            19            20 
      1   0.117975D+01  0.185718D+01 -0.158036D+02 -0.185892D+02 -0.547301D+01
      2  -0.299838D+01 -0.623772D+01  0.272948D+01  0.360653D+01  0.377115D+01
      3   0.181864D+01  0.438054D+01  0.130741D+02  0.149827D+02  0.170185D+01
      4  -0.979348D+00 -0.165551D+01 -0.688892D+01 -0.338738D+01  0.185442D+01
      5   0.646195D+01 -0.552482D+01 -0.162512D+01 -0.115090D+01 -0.914293D+00
      6   0.171984D+01  0.165327D+02  0.301144D+01 -0.235523D+01  0.196441D+00
                21            22            23            24            25 
      1  -0.115671D+01 -0.771568D+00 -0.104496D+02 -0.735412D+00 -0.821840D+00
      2  -0.972706D+00 -0.361723D+01  0.188969D+02  0.411419D+01 -0.193888D+01
      3   0.212942D+01  0.438880D+01 -0.844729D+01 -0.337877D+01  0.276072D+01
      4  -0.581650D+00 -0.123029D+02 -0.694710D+00  0.387387D+00 -0.313747D+01
      5   0.285747D+01 -0.444431D+01  0.478565D-01 -0.198416D+01  0.823077D+01
      6   0.240753D+01 -0.211333D+01  0.298810D+01 -0.423109D+01  0.259947D+01
                26            27            28            29            30 
      1  -0.168186D+01 -0.585285D+01 -0.288834D+01  0.185825D+02  0.202624D+01
      2   0.278731D+01 -0.593838D+01  0.207025D+01 -0.131211D+02  0.117786D+01
      3  -0.110545D+01  0.117912D+02  0.818088D+00 -0.546144D+01 -0.320410D+01
      4   0.166316D+01  0.100123D+00  0.126367D+02 -0.129195D+02 -0.571387D+00
      5  -0.101806D+00 -0.138769D+01 -0.966105D+00 -0.851065D+00 -0.316476D+01
      6   0.514194D+01 -0.148494D+01  0.108751D+01 -0.454807D+00 -0.814019D+01
                31            32            33            34            35 
      1  -0.613104D+01  0.456580D+01  0.238656D+01 -0.208099D+01  0.235925D+01
      2   0.166227D+02 -0.881553D+01 -0.150456D+01  0.493188D+01 -0.366696D+01
      3  -0.104917D+02  0.424973D+01 -0.882003D+00 -0.285089D+01  0.130771D+01
      4   0.579040D+01  0.144916D+02  0.183129D+01  0.186382D+01  0.546561D+00
      5   0.584604D+00  0.190831D+01 -0.138735D+01  0.950341D+00  0.132300D+01
      6   0.495109D+01 -0.283168D+01  0.481213D+01 -0.660336D+01  0.112717D+02
                36            37            38            39            40 
      1  -0.145496D+02  0.110686D+02 -0.231643D+02 -0.187166D+01  0.219083D+02
      2   0.235205D+01 -0.114071D+02  0.153404D+02  0.730078D-01 -0.202012D+02
      3   0.121976D+02  0.338475D+00  0.782389D+01  0.179866D+01 -0.170716D+01
      4   0.294192D+01 -0.180696D+02 -0.462815D+01 -0.147899D+01  0.132637D+02
      5  -0.447065D+00 -0.785733D+00 -0.117045D+01 -0.194150D+01 -0.796302D+00
      6   0.973400D-01 -0.239152D+01 -0.330752D+00  0.524990D+01 -0.284898D+01
                41            42            43            44            45 
      1   0.117329D+02  0.179080D+01  0.244489D+01  0.578096D+00 -0.666731D+01
      2  -0.179450D+02 -0.423552D+01 -0.418388D+01 -0.533587D+01 -0.260072D+01
      3   0.621210D+01  0.244472D+01  0.173900D+01  0.475777D+01  0.926804D+01
      4  -0.347675D+01 -0.384063D+01 -0.200577D+01 -0.549240D+01  0.159800D+02
      5  -0.360277D+01  0.134167D+02  0.134280D+02  0.160870D+02  0.513242D+01
      6  -0.656727D+01  0.875123D+01  0.703590D+01  0.173624D+02  0.216201D+01
                46            47            48            49            50 
      1  -0.930942D+01 -0.455535D+01 -0.244270D+01  0.115806D+02 -0.233756D+02
      2   0.610189D+01  0.318452D+01  0.797233D+00 -0.114011D+02  0.216483D+02
      3   0.320753D+01  0.137084D+01  0.164546D+01 -0.179430D+00  0.172729D+01
      4  -0.100357D+01  0.234257D+02  0.179613D+00 -0.227504D+02 -0.189156D+01
      5  -0.295983D+01 -0.161252D+00  0.206192D+02 -0.631596D+01 -0.156549D+01
      6   0.509082D+00  0.534000D-01  0.277084D+01 -0.176355D+01  0.299160D+01
                51            52            53            54            55 
      1  -0.434295D+01 -0.159205D+01 -0.457159D+01  0.155591D+02  0.115937D+02
      2   0.568009D+01 -0.830282D+00  0.340135D+01 -0.188845D+02 -0.331883D+01
      3  -0.133715D+01  0.242233D+01  0.117024D+01  0.332540D+01 -0.827490D+01
      4  -0.173151D+01 -0.727132D+01 -0.820113D+00  0.419309D+01  0.436873D+01
      5   0.418591D+01  0.394959D+02  0.416034D+01  0.324919D+01  0.480040D+01
      6  -0.584623D+01  0.262052D+01  0.580623D+01 -0.239430D+01 -0.550383D+00
                56            57            58            59            60 
      1  -0.999311D+00  0.585594D+00  0.184265D+02  0.680945D+01  0.587200D+01
      2  -0.201455D+00 -0.353307D+01 -0.176294D+02 -0.152227D+02 -0.871943D+01
      3   0.120077D+01  0.294747D+01 -0.797079D+00  0.841329D+01  0.284743D+01
      4  -0.754732D+01  0.254957D+01 -0.678494D+01 -0.257776D+02 -0.110932D+02
      5   0.199419D+01 -0.179541D+02  0.133458D+02 -0.938037D+01  0.105151D+02
      6  -0.153694D+01  0.190282D+01 -0.399070D+01 -0.451644D+01  0.629018D+00
                61            62            63            64            65 
      1  -0.636281D+01  0.290266D+01 -0.121091D+02  0.209209D+02 -0.213265D-01
      2  -0.169710D+01 -0.332666D+01  0.145633D+02 -0.107576D+02 -0.135932D+01
      3   0.805991D+01  0.423994D+00 -0.245416D+01 -0.101633D+02  0.138064D+01
      4   0.728380D+01 -0.106338D+02  0.313871D+01 -0.750650D+01  0.124475D+02
      5  -0.429908D+02  0.222942D+01  0.615616D+01  0.768579D+01 -0.519214D+01
      6   0.523856D+00 -0.435029D+01  0.143340D+01 -0.436528D+01  0.461125D+01
                66            67            68            69            70 
      1  -0.792505D+01 -0.114784D+02  0.897565D+01 -0.302024D+01 -0.514708D+00
      2  -0.637947D+01  0.979793D+01 -0.129119D+02  0.867376D+00 -0.100540D+02
      3   0.143045D+02  0.168043D+01  0.393621D+01  0.215286D+01  0.105687D+02
      4  -0.404471D+01  0.156607D+02  0.227355D+02  0.935397D+01 -0.399100D+01
      5   0.272931D+02 -0.854133D+01  0.108869D+02 -0.471533D+01  0.364176D+02
      6  -0.406952D+01  0.696588D+01  0.724865D+01  0.606141D+01 -0.351877D+01
                71            72            73            74            75 
      1   0.145173D+01  0.264566D+02 -0.507771D+02 -0.134904D+02  0.139550D+02
      2  -0.288384D+01 -0.104367D+02  0.233264D+02  0.470370D+01  0.303304D+00
      3   0.143211D+01 -0.160199D+02  0.274507D+02  0.878673D+01 -0.142583D+02
      4   0.882375D+01 -0.460258D+01 -0.174391D+02  0.598227D+01 -0.151321D+01
      5  -0.151624D+01  0.802141D+01  0.171014D+02  0.164889D+01  0.155996D+02
      6   0.673907D+01 -0.149486D+01  0.687631D+01 -0.531463D+01  0.301093D+01
                76            77            78            79            80 
      1  -0.161008D+02  0.125647D+02 -0.570160D+01  0.371597D+00 -0.834856D+01
      2   0.100621D+02 -0.203801D+01 -0.141994D+01  0.113363D+02  0.213632D+00
      3   0.603866D+01 -0.105267D+02  0.712154D+01 -0.117079D+02  0.813492D+01
      4   0.301790D+01  0.204701D+02  0.148128D+02 -0.374167D+01  0.135908D+02
      5   0.237067D+01  0.111270D+02 -0.553109D+01  0.267980D+02 -0.330034D+01
      6  -0.118679D+01 -0.988366D+01 -0.120953D+02  0.273540D+01 -0.933249D+01
                81            82            83            84            85 
      1   0.186001D+02  0.282356D+01 -0.688956D-01  0.123329D+02  0.396704D+01
      2  -0.148779D+02 -0.319767D+01  0.452632D+00  0.334988D+01 -0.188317D+01
      3  -0.372222D+01  0.374105D+00 -0.383736D+00 -0.156828D+02 -0.208387D+01
      4  -0.499773D+01  0.408409D+00 -0.146621D+01 -0.526582D+00  0.118108D+01
      5  -0.150939D+02  0.196029D+01  0.899841D+00 -0.652437D+01  0.276655D+00
      6   0.804553D+01  0.611067D+00 -0.158740D+01  0.104703D+01 -0.254098D+00
                86            87            88            89            90 
      1  -0.360927D+01 -0.774389D+00  0.121569D+02  0.199053D+01 -0.288872D+02
      2   0.853152D+00 -0.195437D+00 -0.186800D+01 -0.659861D+00 -0.100526D+02
      3   0.275612D+01  0.969826D+00 -0.102889D+02 -0.133067D+01  0.389399D+02
      4  -0.846015D+00  0.252932D+01 -0.237765D+01  0.315643D+01 -0.221335D+00
      5   0.181511D+01  0.760773D+00  0.153049D+01 -0.221792D+01  0.227531D+02
      6  -0.467638D+00  0.579154D+01  0.766723D+00  0.488575D+01 -0.522116D+01
                91            92            93            94            95 
      1   0.162951D+01  0.335291D+01  0.113537D+01  0.494922D+00 -0.138310D+02
      2   0.266035D+01 -0.354751D-01  0.119437D+00  0.383475D+01  0.266410D+02
      3  -0.428987D+01 -0.331743D+01 -0.125481D+01 -0.432967D+01 -0.128101D+02
      4   0.736681D+01  0.101975D+02  0.167785D+01  0.107998D+02  0.302727D+02
      5   0.160939D+01  0.166690D+01  0.521379D+01  0.964800D+00  0.466942D+01
      6   0.212092D+01  0.862997D+00  0.281464D+00  0.107501D+01  0.773359D+01
                96            97            98            99           100 
      1  -0.256064D+01  0.111706D+01 -0.257628D+01 -0.308815D+01 -0.235318D+01
      2   0.382871D+01  0.425378D+00  0.266638D+01  0.183835D+01 -0.344713D+00
      3  -0.126806D+01 -0.154244D+01 -0.900968D-01  0.124980D+01  0.269789D+01
      4   0.534149D+01  0.168926D+01  0.562185D+01  0.458891D+01  0.194409D+01
      5   0.655292D+01  0.622100D+01  0.422420D+01  0.280955D+01  0.151932D+00
      6   0.573699D+01  0.131621D+01  0.815797D+01  0.349180D+01 -0.346404D+01
               101           102           103           104           105 
      1   0.668827D+01 -0.106709D+02  0.693753D+01 -0.113641D+02  0.116665D+02
      2  -0.236367D+01 -0.406789D+00 -0.366577D+01  0.494273D+01  0.369512D+00
      3  -0.432460D+01  0.110777D+02 -0.327175D+01  0.642141D+01 -0.120361D+02
      4  -0.228889D+01  0.174923D+01  0.179668D+01  0.669892D+01 -0.888043D+01
      5  -0.781209D-01 -0.349246D+01 -0.388574D+01 -0.660231D+01  0.967323D+01
      6   0.486908D+01 -0.494187D+01  0.102757D+01 -0.102718D+02  0.129522D+02
               106           107           108           109           110 
      1  -0.604592D+01  0.100990D+02 -0.216288D+02  0.804238D+02  0.914439D+01
      2   0.880488D+00  0.334536D+00 -0.601832D+01 -0.426461D+02 -0.345141D+01
      3   0.516543D+01 -0.104335D+02  0.276471D+02 -0.377777D+02 -0.569298D+01
      4   0.182299D+00 -0.831227D+01  0.819500D+01  0.160014D+02  0.125176D+02
      5   0.430890D+01  0.663259D+01 -0.154398D+02 -0.327978D+02 -0.410443D+01
      6  -0.151198D+01  0.115329D+02 -0.139104D+02 -0.522621D+01 -0.405554D+01
               111           112           113           114           115 
      1  -0.819268D+01  0.117459D+02  0.619499D+01 -0.163364D+00  0.310397D+01
      2   0.831141D+01 -0.477601D+01 -0.214628D+01  0.138663D+01  0.689601D+00
      3  -0.118733D+00 -0.696990D+01 -0.404871D+01 -0.122327D+01 -0.379357D+01
      4  -0.235453D+01  0.136268D+02  0.441566D+01 -0.311064D+01  0.393582D+00
      5   0.159925D+02 -0.591949D+01 -0.430166D+01  0.383120D+01  0.791471D+01
      6   0.160154D+01 -0.336773D+01 -0.834634D+00  0.299466D+01  0.833970D+00
               116           117           118           119           120 
      1   0.917932D+00  0.377457D+01  0.412126D+01 -0.253543D+01 -0.399659D+01
      2   0.535708D+00 -0.313466D+01 -0.128750D+01  0.178373D+01  0.327987D+00
      3  -0.145364D+01 -0.639909D+00 -0.283375D+01  0.751702D+00  0.366860D+01
      4  -0.801590D+00  0.227186D+01 -0.168417D+01  0.100684D+01  0.619339D+00
      5   0.180361D+01 -0.183196D+01 -0.225741D+01  0.168431D+01 -0.847513D+00
      6   0.191861D+01 -0.904860D+00  0.181481D+01  0.108870D+01  0.175510D+00
               121           122           123           124           125 
      1  -0.587705D+01 -0.899787D+01 -0.432311D+01 -0.183226D+01 -0.316556D+01
      2   0.360122D+01  0.801769D+01 -0.184885D+01  0.972643D+00 -0.792786D+00
      3   0.227583D+01  0.980181D+00  0.617196D+01  0.859621D+00  0.395835D+01
      4   0.624052D+01 -0.273186D+02 -0.107463D+02  0.132632D+01 -0.743672D+01
      5   0.765557D+01 -0.918422D+01 -0.117671D+02  0.197383D+01 -0.475484D+01
      6  -0.179282D+01  0.189152D+02  0.111584D+02 -0.106406D+01  0.958237D+01
               126           127           128           129           130 
      1  -0.681913D+01 -0.456056D+01  0.682001D+01  0.554559D+00  0.757979D+01
      2  -0.399783D+00  0.634928D+01 -0.101071D+02 -0.598245D+00 -0.108763D+02
      3   0.721891D+01 -0.178872D+01  0.328704D+01  0.436865D-01  0.329656D+01
      4  -0.506016D+01 -0.851819D+01  0.854372D+01  0.478588D+00  0.851307D+01
      5  -0.583154D+01 -0.517053D+00  0.393672D+00  0.220926D+01  0.278260D+00
      6   0.527309D+01  0.372993D+00 -0.916568D+00 -0.187116D+01 -0.127084D+01
               131           132           133           134           135 
      1  -0.207062D+02 -0.210996D+01  0.560395D+00 -0.164041D+01 -0.275498D+00
      2   0.282894D+02  0.177798D+01 -0.978726D+00  0.217358D+01  0.948632D+00
      3  -0.758326D+01  0.331975D+00  0.418331D+00 -0.533172D+00 -0.673134D+00
      4  -0.894000D+01 -0.540838D+00  0.829622D+00 -0.524212D+00 -0.179779D+01
      5  -0.796047D+00 -0.180004D+01  0.551076D+00 -0.446014D+00 -0.513906D+00
      6   0.253362D+01  0.486420D+01 -0.748941D-01  0.133781D+01  0.689457D+00
               136           137           138           139           140 
      1   0.521514D+01  0.420242D+01  0.457814D+00 -0.112484D+01 -0.165501D+02
      2   0.377253D+01  0.605491D+01  0.295993D+00  0.124554D+02  0.403743D+02
      3  -0.898767D+01 -0.102573D+02 -0.753806D+00 -0.113305D+02 -0.238243D+02
      4   0.181092D+02  0.232630D+02  0.266011D+01  0.247715D+02  0.477614D+02
      5   0.227501D+01  0.259383D+01  0.381059D+01  0.290410D+01  0.515828D+01
      6   0.175444D+01  0.214420D+01  0.217569D+01  0.301963D+01  0.730475D+01
               141           142           143           144           145 
      1  -0.202480D+01 -0.488686D-01 -0.174248D+01 -0.115861D+01  0.979682D+02
      2   0.330066D+01  0.143112D+01  0.446919D+01  0.212483D+01 -0.548116D+02
      3  -0.127586D+01 -0.138225D+01 -0.272671D+01 -0.966227D+00 -0.431566D+02
      4   0.539596D+01  0.332667D+01  0.636425D+01  0.163585D+01  0.155887D+02
      5   0.455311D+01  0.886282D+00  0.107129D+01  0.842509D+00  0.490784D+01
      6   0.746253D+01  0.119485D+01  0.233010D+01  0.150476D+01 -0.932103D+00
               146           147           148           149           150 
      1   0.979474D+01  0.318616D+01  0.909644D+01  0.970241D+01  0.106726D+01
      2  -0.476287D+01 -0.214731D+01 -0.392346D+01 -0.429929D+01 -0.893280D+00
      3  -0.503188D+01 -0.103885D+01 -0.517299D+01 -0.540312D+01 -0.173976D+00
      4   0.100483D+02  0.445768D+00  0.163795D+02  0.505830D+01  0.829447D+00
      5   0.437391D+00  0.962139D+01  0.216887D+01  0.816317D+00  0.123414D+01
      6   0.149248D+00  0.815946D+00  0.463483D+00 -0.550046D-02  0.179357D+01
               151           152           153           154           155 
      1   0.410474D+01  0.115058D+01  0.194112D+01  0.222537D+02 -0.138271D+02
      2  -0.222419D+01 -0.584556D+00 -0.102181D+01 -0.374755D+01 -0.129482D+01
      3  -0.188055D+01 -0.566019D+00 -0.919309D+00 -0.185061D+02  0.151219D+02
      4   0.240407D+01  0.945681D+00  0.366931D+00 -0.334725D+02  0.305513D+02
      5   0.435369D+00  0.110729D+00  0.567391D+00 -0.338172D+01  0.246943D+01
      6   0.179309D-01  0.523355D+00  0.277537D+00  0.133330D+01 -0.115467D+01
               156           157           158           159           160 
      1  -0.135163D+01 -0.956185D+01  0.380585D+01  0.382852D+00 -0.436026D+00
      2   0.435240D+00 -0.673222D+01  0.170508D+02  0.450545D+00 -0.831150D+00
      3   0.916392D+00  0.162941D+02 -0.208566D+02 -0.833397D+00  0.126718D+01
      4   0.226631D+01  0.345268D+02 -0.443428D+02 -0.383665D+01  0.323124D+01
      5   0.564677D+01  0.356769D+01 -0.409283D+01 -0.482034D+01  0.129269D+01
      6  -0.289541D+01 -0.223233D+01  0.302833D+01  0.548638D+01 -0.993681D+00
               161           162           163           164           165 
      1   0.269872D-01 -0.375426D-01 -0.509726D+01 -0.907350D+01 -0.133475D+01
      2   0.161377D+01  0.976818D+00  0.677817D+01  0.114161D+02  0.105772D+01
      3  -0.164076D+01 -0.939275D+00 -0.168090D+01 -0.234262D+01  0.277033D+00
      4  -0.389763D+01 -0.144541D+01  0.346869D+01  0.732265D+01  0.684676D+00
      5  -0.120381D+01 -0.567453D+00  0.443268D+00  0.505762D+00  0.155355D+01
      6   0.151952D+01  0.854002D+00  0.123968D+01  0.201859D+01  0.183020D+01
               166           167           168           169           170 
      1  -0.714154D+01 -0.340713D+02 -0.416835D+01 -0.129392D+01 -0.460318D+01
      2   0.898032D+01  0.467262D+02  0.412760D+01  0.166778D+01  0.595328D+01
      3  -0.183878D+01 -0.126549D+02  0.407543D-01 -0.373855D+00 -0.135010D+01
      4   0.525232D+01 -0.106124D+01 -0.439075D+00  0.799904D+00  0.503056D-01
      5   0.694357D+00 -0.655545D+00  0.244674D+00  0.101553D+00  0.639966D+00
      6   0.142157D+01  0.718393D+01  0.703218D+01  0.335881D+00  0.209457D+01
               171           172           173           174           175 
      1  -0.132553D+01  0.647675D+01 -0.287707D-01  0.336855D+01 -0.305850D+01
      2   0.218735D+01 -0.457192D+01 -0.134109D+01 -0.258022D+01 -0.947344D+00
      3  -0.861817D+00 -0.190483D+01  0.136986D+01 -0.788324D+00  0.400585D+01
      4   0.125327D+01  0.380247D+00  0.512080D+01  0.109237D+01  0.793351D+01
      5   0.279440D+00  0.458292D+01  0.141348D+01  0.220896D+01 -0.275857D+01
      6   0.144111D+01  0.174032D+01  0.107230D+01  0.101027D+01  0.167163D+01
               176           177           178           179           180 
      1  -0.756672D+01  0.208880D+01 -0.910777D-01  0.115643D+01 -0.213242D+01
      2   0.201080D+02  0.184280D+01 -0.110904D+01  0.214189D+01  0.121641D+01
      3  -0.125413D+02 -0.393160D+01  0.120012D+01 -0.329833D+01  0.916015D+00
      4  -0.319069D+02  0.814537D+00  0.189014D+01 -0.576573D+01 -0.275639D+01
      5   0.104743D+00 -0.646718D+01  0.175119D+01 -0.276637D+01 -0.717139D+00
      6  -0.120578D+02  0.352288D+01 -0.227133D+00  0.206185D+01 -0.230256D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.360882D+00      0.917270D+00      0.305968D+01
   y          0.147143D+00      0.374000D+00      0.124753D+01
   z          0.289654D-01      0.736228D-01      0.245579D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.125906D+03      0.186573D+02      0.207590D+02
   yx        -0.533706D+00     -0.790871D-01     -0.879962D-01
   yy         0.101148D+03      0.149886D+02      0.166770D+02
   zx         0.422352D+00      0.625861D-01      0.696364D-01
   zy         0.265997D+01      0.394167D+00      0.438570D+00
   zz         0.709135D+02      0.105083D+02      0.116920D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108193D+03      0.160325D+02      0.178386D+02
   aniso      0.502304D+02      0.744337D+01      0.828187D+01
   xx         0.136758D+03      0.202654D+02      0.225483D+02
   yx        -0.285206D+00     -0.422631D-01     -0.470240D-01
   yy         0.108796D+03      0.161218D+02      0.179380D+02
   zx         0.947457D+00      0.140399D+00      0.156215D+00
   zy         0.254840D+01      0.377634D+00      0.420174D+00
   zz         0.790246D+02      0.117102D+02      0.130294D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.65449704         -2.97307924          2.90914220
     6          1.34761485         -2.39847818          0.36234366
     6          0.17708052         -0.16648001         -0.39438172
     6         -0.68420525          1.48842862          1.46956773
     6         -0.38526242          0.92692898          4.01368158
     6          0.78751187         -1.31047979          4.74431314
     6         -0.16572984          0.42570219         -3.18565930
     7          0.83987739          2.88108287         -3.98797758
     6         -2.93996066          0.25136088         -3.96403369
     1          2.63133418          3.11106598         -3.34898154
     1          0.88121588         -1.00928186         -4.24276135
     1         -3.71483254         -1.60132798         -3.50444705
     1         -3.12991415          0.58103997         -5.98901162
     1         -4.06529182          1.66701872         -2.96561715
     1         -1.59500067          3.24169522          0.93110753
     1         -1.06735647          2.23461291          5.43188537
     1          1.02573192         -1.74753345          6.72804857
     1          2.57595635         -4.71597170          3.45629751
     1          2.03153597         -3.70193384         -1.06243110
     1         -0.20178215          4.30960981         -3.24808267

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.390801D+00      0.993318D+00      0.331335D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.779180D+02      0.115463D+02      0.128469D+02
   yx        -0.140298D+02     -0.207899D+01     -0.231319D+01
   yy         0.981200D+02      0.145399D+02      0.161778D+02
   zx         0.555704D+01      0.823468D+00      0.916232D+00
   zy        -0.728247D+01     -0.107915D+01     -0.120072D+01
   zz         0.121929D+03      0.180680D+02      0.201034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108193D+03      0.160325D+02      0.178386D+02
   aniso      0.502304D+02      0.744337D+01      0.828187D+01
   xx         0.857973D+02      0.127138D+02      0.141461D+02
   yx        -0.138199D+02     -0.204790D+01     -0.227859D+01
   yy         0.106230D+03      0.157417D+02      0.175150D+02
   zx         0.568192D+01      0.841974D+00      0.936823D+00
   zy        -0.827091D+01     -0.122562D+01     -0.136369D+01
   zz         0.132550D+03      0.196419D+02      0.218546D+02

 ----------------------------------------------------------------------
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 JUST WHEN YOU THINK YOU'VE GOT THE WORLD ON A STRING,
 YOU FIND OUT IT'S YOUR LEASH.
 Job cpu time:       0 days  6 hours 47 minutes 29.0 seconds.
 Elapsed time:       0 days  0 hours 50 minutes 59.5 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:01:09 2021.
